N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide

C12H20N2OS — CID 94112886

IUPACN,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)[C@H](C)CC(C)C
InChIInChI=1S/C12H20N2OS/c1-8(2)6-9(3)14(5)12(15)11-10(4)13-7-16-11/h7-9H,6H2,1-5H3/t9-/m1/s1
InChIKeyMXQSRONRJJQRTD-SECBINFHSA-N
MW240.37 g/mol
LogP2.96
Rot. Bonds4

About N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide

N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 94112886) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID94112886
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)[C@H](C)CC(C)C
InChIInChI=1S/C12H20N2OS/c1-8(2)6-9(3)14(5)12(15)11-10(4)13-7-16-11/h7-9H,6H2,1-5H3/t9-/m1/s1
InChIKeyMXQSRONRJJQRTD-SECBINFHSA-N
XLogP2.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,4-dimethyl-N-[(2S)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
CID 94112885
N-(1-cyclopropylethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 51080851
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 76928134
methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate
CID 55008025
N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47209048
2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
CID 61011678
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47209103
2-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 62676725
2-amino-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 62788598
N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]pyrimidine-4-carboxamide
CID 97313105
(E)-4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-2-en-1-one
CID 10867230
3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 81064431

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide (CID 94112886) is N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(C)[C@H](C)CC(C)C.
What is the InChIKey of N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is MXQSRONRJJQRTD-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8(2)6-9(3)14(5)12(15)11-10(4)13-7-16-11/h7-9H,6H2,1-5H3/t9-/m1/s1.
What are the key properties of N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide?
N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 94112886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).