4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide

C14H18N4O2S2 — CID 97143316

IUPAC4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1nccs1
InChIInChI=1S/C14H18N4O2S2/c1-8(2)6-10(12(19)18-14-15-4-5-21-14)17-13(20)11-9(3)16-7-22-11/h4-5,7-8,10H,6H2,1-3H3,(H,17,20)(H,15,18,19)/t10-/m0/s1
InChIKeyRTQFJSOAYHCVEK-JTQLQIEISA-N
MW338.46 g/mol
LogP2.69
Rot. Bonds6

About 4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide

4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 97143316) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID97143316
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1nccs1
InChIInChI=1S/C14H18N4O2S2/c1-8(2)6-10(12(19)18-14-15-4-5-21-14)17-13(20)11-9(3)16-7-22-11/h4-5,7-8,10H,6H2,1-3H3,(H,17,20)(H,15,18,19)/t10-/m0/s1
InChIKeyRTQFJSOAYHCVEK-JTQLQIEISA-N
XLogP2.69
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide
CID 97143321
1-methyl-N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide
CID 97143319
1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide
CID 97143318
4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide
CID 75397995
N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 146124997
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 18072824
(2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide
CID 164862469
2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 9118306
2-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 9118307
N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 130948721
(2S)-2-[(7-chloroquinazolin-4-yl)amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 97254055

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide (CID 97143316) is 4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1nccs1.
What is the InChIKey of 4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is RTQFJSOAYHCVEK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-8(2)6-10(12(19)18-14-15-4-5-21-14)17-13(20)11-9(3)16-7-22-11/h4-5,7-8,10H,6H2,1-3H3,(H,17,20)(H,15,18,19)/t10-/m0/s1.
What are the key properties of 4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97143316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).