N'-[(1S,2R,4R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,3-thiazol-2-yl)cyclohexyl]oxamide;hydrochloride

C19H25ClN6O3S2 — CID 172769528

IUPACN'-[(1S,2R,4R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,3-thiazol-2-yl)cyclohexyl]oxamide;hydrochloride
SMILESCN1CCc2nc(C(=O)N[C@@H]3C[C@H](c4nccs4)CC[C@@H]3NC(=O)C(N)=O)sc2C1.Cl
InChIInChI=1S/C19H24N6O3S2.ClH/c1-25-6-4-12-14(9-25)30-19(24-12)17(28)23-13-8-10(18-21-5-7-29-18)2-3-11(13)22-16(27)15(20)26;/h5,7,10-11,13H,2-4,6,8-9H2,1H3,(H2,20,26)(H,22,27)(H,23,28);1H/t10-,11+,13-;/m1./s1
InChIKeyMTNCRAIRJMWFOQ-GYBQEXSMSA-N
MW485.04 g/mol
LogP1.05
Rot. Bonds4

About N'-[(1S,2R,4R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,3-thiazol-2-yl)cyclohexyl]oxamide;hydrochloride

N'-[(1S,2R,4R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,3-thiazol-2-yl)cyclohexyl]oxamide;hydrochloride (PubChem CID 172769528) has the molecular formula C19H25ClN6O3S2 and a molecular weight of 485.04 g/mol. Its IUPAC name is N'-[(1S,2R,4R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,3-thiazol-2-yl)cyclohexyl]oxamide;hydrochloride.

Molecular Properties

Compound NameN'-[(1S,2R,4R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,3-thiazol-2-yl)cyclohexyl]oxamide;hydrochloride
PubChem CID172769528
Molecular FormulaC19H25ClN6O3S2
Molecular Weight485.04 g/mol
Exact Mass484.11
IUPAC NameN'-[(1S,2R,4R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,3-thiazol-2-yl)cyclohexyl]oxamide;hydrochloride
SMILESCN1CCc2nc(C(=O)N[C@@H]3C[C@H](c4nccs4)CC[C@@H]3NC(=O)C(N)=O)sc2C1.Cl
InChIInChI=1S/C19H24N6O3S2.ClH/c1-25-6-4-12-14(9-25)30-19(24-12)17(28)23-13-8-10(18-21-5-7-29-18)2-3-11(13)22-16(27)15(20)26;/h5,7,10-11,13H,2-4,6,8-9H2,1H3,(H2,20,26)(H,22,27)(H,23,28);1H/t10-,11+,13-;/m1./s1
InChIKeyMTNCRAIRJMWFOQ-GYBQEXSMSA-N
XLogP1.05
TPSA130.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.04
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(1S,2R,4S)-4-(methylcarbamothioyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
CID 150823831
N'-[(3R,4S)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylsulfonylpiperidin-4-yl]oxamide
CID 154053124
N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbonyl)amino]cyclohexyl]oxamide;hydrochloride
CID 162337713
N-[(1R,2S,5S)-2-[[3-(4-chlorophenyl)-2-fluoroprop-2-enoyl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66967045
N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 97352650
N-[(3R,4S)-1-acetyl-4-(2-oxopropanoylamino)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 143305515
N-[(1S,2R)-4-(2-amino-2-methylpropanoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]-N'-(5-chloro-2-pyridinyl)oxamide
CID 70648515
N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,2,4-triazol-4-yl)cyclohexyl]oxamide;hydrochloride
CID 69012003
N'-(4-chloro-2-pyridinyl)-N-[4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
CID 176537521
N'-(4-chlorophenyl)-N-[(1R,2R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cycloheptyl]oxamide
CID 67056458
ethyl (1S,3R,4S)-4-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl]amino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 25133788
N-[2-[[2-[(5-chloropyrazin-2-yl)amino]-2-oxoethanethioyl]amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 91500931

Frequently Asked Questions

What is the IUPAC name of N'-[(1S,2R,4R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,3-thiazol-2-yl)cyclohexyl]oxamide;hydrochloride?
The IUPAC name of N'-[(1S,2R,4R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,3-thiazol-2-yl)cyclohexyl]oxamide;hydrochloride (CID 172769528) is N'-[(1S,2R,4R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,3-thiazol-2-yl)cyclohexyl]oxamide;hydrochloride.
What is the SMILES notation for N'-[(1S,2R,4R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,3-thiazol-2-yl)cyclohexyl]oxamide;hydrochloride?
The canonical SMILES for N'-[(1S,2R,4R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,3-thiazol-2-yl)cyclohexyl]oxamide;hydrochloride is CN1CCc2nc(C(=O)N[C@@H]3C[C@H](c4nccs4)CC[C@@H]3NC(=O)C(N)=O)sc2C1.Cl.
What is the InChIKey of N'-[(1S,2R,4R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,3-thiazol-2-yl)cyclohexyl]oxamide;hydrochloride?
The InChIKey is MTNCRAIRJMWFOQ-GYBQEXSMSA-N. The full InChI is InChI=1S/C19H24N6O3S2.ClH/c1-25-6-4-12-14(9-25)30-19(24-12)17(28)23-13-8-10(18-21-5-7-29-18)2-3-11(13)22-16(27)15(20)26;/h5,7,10-11,13H,2-4,6,8-9H2,1H3,(H2,20,26)(H,22,27)(H,23,28);1H/t10-,11+,13-;/m1./s1.
What are the key properties of N'-[(1S,2R,4R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,3-thiazol-2-yl)cyclohexyl]oxamide;hydrochloride?
N'-[(1S,2R,4R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,3-thiazol-2-yl)cyclohexyl]oxamide;hydrochloride has a molecular weight of 485.04 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S,2R,4R)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,3-thiazol-2-yl)cyclohexyl]oxamide;hydrochloride is sourced from PubChem (CID 172769528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).