N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C16H21N3O2S2 — CID 166201736

IUPACN-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NC(C)(CC(C)C)C(N)=O
InChIInChI=1S/C16H21N3O2S2/c1-9(2)7-16(4,15(17)21)19-13(20)12-10(3)18-14(23-12)11-5-6-22-8-11/h5-6,8-9H,7H2,1-4H3,(H2,17,21)(H,19,20)
InChIKeyPAWLDTGJGMAXIF-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.20
Rot. Bonds6

About N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 166201736) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID166201736
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC NameN-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NC(C)(CC(C)C)C(N)=O
InChIInChI=1S/C16H21N3O2S2/c1-9(2)7-16(4,15(17)21)19-13(20)12-10(3)18-14(23-12)11-5-6-22-8-11/h5-6,8-9H,7H2,1-4H3,(H2,17,21)(H,19,20)
InChIKeyPAWLDTGJGMAXIF-UHFFFAOYSA-N
XLogP3.20
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 166201736) is N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)NC(C)(CC(C)C)C(N)=O.
What is the InChIKey of N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is PAWLDTGJGMAXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-9(2)7-16(4,15(17)21)19-13(20)12-10(3)18-14(23-12)11-5-6-22-8-11/h5-6,8-9H,7H2,1-4H3,(H2,17,21)(H,19,20).
What are the key properties of N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 351.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166201736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).