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

C17H17N5OS — CID 97315027

IUPACN,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)N(C)[C@H](C)c1ccccn1
InChIInChI=1S/C17H17N5OS/c1-11-14(24-16(21-11)15-19-9-6-10-20-15)17(23)22(3)12(2)13-7-4-5-8-18-13/h4-10,12H,1-3H3/t12-/m1/s1
InChIKeySQWGJAFKCDRKBG-GFCCVEGCSA-N
MW339.42 g/mol
LogP3.14
Rot. Bonds4

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

N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 97315027) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID97315027
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)N(C)[C@H](C)c1ccccn1
InChIInChI=1S/C17H17N5OS/c1-11-14(24-16(21-11)15-19-9-6-10-20-15)17(23)22(3)12(2)13-7-4-5-8-18-13/h4-10,12H,1-3H3/t12-/m1/s1
InChIKeySQWGJAFKCDRKBG-GFCCVEGCSA-N
XLogP3.14
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 90125514
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 94588634
N,4-dimethyl-2-(5-methylfuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 55881727
2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 55919915
4-[methyl-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119137189
N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97146350
N,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 163258537
N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 47061775
(2R)-3-methyl-2-[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119368319
(2R)-2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 124590926
N-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 103799825
4-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71488056

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 97315027) is N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncccn2)sc1C(=O)N(C)[C@H](C)c1ccccn1.
What is the InChIKey of N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is SQWGJAFKCDRKBG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-11-14(24-16(21-11)15-19-9-6-10-20-15)17(23)22(3)12(2)13-7-4-5-8-18-13/h4-10,12H,1-3H3/t12-/m1/s1.
What are the key properties of N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97315027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).