N-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide

C19H32N4O3S — CID 55519150

IUPACN-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC1CN(Cc2csc(NC(=O)CCCNC(=O)C(C)(C)C)n2)CC(C)O1
InChIInChI=1S/C19H32N4O3S/c1-13-9-23(10-14(2)26-13)11-15-12-27-18(21-15)22-16(24)7-6-8-20-17(25)19(3,4)5/h12-14H,6-11H2,1-5H3,(H,20,25)(H,21,22,24)
InChIKeyLGJXCUPNWISMOV-UHFFFAOYSA-N
MW396.56 g/mol
LogP2.63
Rot. Bonds7

About N-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 55519150) has the molecular formula C19H32N4O3S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID55519150
Molecular FormulaC19H32N4O3S
Molecular Weight396.56 g/mol
Exact Mass396.22
IUPAC NameN-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC1CN(Cc2csc(NC(=O)CCCNC(=O)C(C)(C)C)n2)CC(C)O1
InChIInChI=1S/C19H32N4O3S/c1-13-9-23(10-14(2)26-13)11-15-12-27-18(21-15)22-16(24)7-6-8-20-17(25)19(3,4)5/h12-14H,6-11H2,1-5H3,(H,20,25)(H,21,22,24)
InChIKeyLGJXCUPNWISMOV-UHFFFAOYSA-N
XLogP2.63
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
CID 119840495
4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pentanamide
CID 120564439
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide
CID 94819885
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
N-[4-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 46430396
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 51324198
3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
CID 119840487
2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 119840436
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide
CID 124731109
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51321385
2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 119840435
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 51324177

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 55519150) is N-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide is CC1CN(Cc2csc(NC(=O)CCCNC(=O)C(C)(C)C)n2)CC(C)O1.
What is the InChIKey of N-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is LGJXCUPNWISMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3S/c1-13-9-23(10-14(2)26-13)11-15-12-27-18(21-15)22-16(24)7-6-8-20-17(25)19(3,4)5/h12-14H,6-11H2,1-5H3,(H,20,25)(H,21,22,24).
What are the key properties of N-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 396.56 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 55519150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).