5-acetyl-N-[(1R,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C18H26N4O2S — CID 142914864

IUPAC5-acetyl-N-[(1R,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESC=C(C)N[C@H]1CCCC[C@H]1NC(=O)c1nc2c(s1)CN(C(C)=O)CC2
InChIInChI=1S/C18H26N4O2S/c1-11(2)19-13-6-4-5-7-14(13)20-17(24)18-21-15-8-9-22(12(3)23)10-16(15)25-18/h13-14,19H,1,4-10H2,2-3H3,(H,20,24)/t13-,14+/m0/s1
InChIKeyDKQQDROSFVFEMA-UONOGXRCSA-N
MW362.50 g/mol
LogP2.21
Rot. Bonds4

About 5-acetyl-N-[(1R,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

5-acetyl-N-[(1R,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 142914864) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 5-acetyl-N-[(1R,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(1R,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID142914864
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name5-acetyl-N-[(1R,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESC=C(C)N[C@H]1CCCC[C@H]1NC(=O)c1nc2c(s1)CN(C(C)=O)CC2
InChIInChI=1S/C18H26N4O2S/c1-11(2)19-13-6-4-5-7-14(13)20-17(24)18-21-15-8-9-22(12(3)23)10-16(15)25-18/h13-14,19H,1,4-10H2,2-3H3,(H,20,24)/t13-,14+/m0/s1
InChIKeyDKQQDROSFVFEMA-UONOGXRCSA-N
XLogP2.21
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-acetyl-N-[(1R,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide with MolForge

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Related Compounds

5-acetyl-N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58822110
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
1-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-cyclopentylurea
CID 90529287
N-[(3R,4S)-3-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylpiperidin-4-yl]-N'-(5-chloro-2-pyridinyl)oxamide
CID 11965177
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
5-methyl-N-[(1R,2S)-2-[(5-methyl-6,7-dihydro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 71104846
N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58822130
N-[(3R,4S)-1-acetyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]piperidin-4-yl]-N'-(4-bromophenyl)oxamide;hydrochloride
CID 66621605
5-methyl-N-[(1R,2S)-2-[(5-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66792380
N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 68907725
N-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-(methylideneamino)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 163491295

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(1R,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of 5-acetyl-N-[(1R,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 142914864) is 5-acetyl-N-[(1R,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(1R,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[(1R,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is C=C(C)N[C@H]1CCCC[C@H]1NC(=O)c1nc2c(s1)CN(C(C)=O)CC2.
What is the InChIKey of 5-acetyl-N-[(1R,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is DKQQDROSFVFEMA-UONOGXRCSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-11(2)19-13-6-4-5-7-14(13)20-17(24)18-21-15-8-9-22(12(3)23)10-16(15)25-18/h13-14,19H,1,4-10H2,2-3H3,(H,20,24)/t13-,14+/m0/s1.
What are the key properties of 5-acetyl-N-[(1R,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
5-acetyl-N-[(1R,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(1R,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 142914864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).