N,4-dimethyl-2-pyrimidin-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazole-5-carboxamide

C14H13N5OS2 — CID 47870890

IUPACN,4-dimethyl-2-pyrimidin-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)N(C)Cc1cscn1
InChIInChI=1S/C14H13N5OS2/c1-9-11(14(20)19(2)6-10-7-21-8-17-10)22-13(18-9)12-15-4-3-5-16-12/h3-5,7-8H,6H2,1-2H3
InChIKeyAAHJRGCVEADOOO-UHFFFAOYSA-N
MW331.43 g/mol
LogP2.64
Rot. Bonds4

About N,4-dimethyl-2-pyrimidin-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazole-5-carboxamide

N,4-dimethyl-2-pyrimidin-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 47870890) has the molecular formula C14H13N5OS2 and a molecular weight of 331.43 g/mol. Its IUPAC name is N,4-dimethyl-2-pyrimidin-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-pyrimidin-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID47870890
Molecular FormulaC14H13N5OS2
Molecular Weight331.43 g/mol
Exact Mass331.06
IUPAC NameN,4-dimethyl-2-pyrimidin-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)N(C)Cc1cscn1
InChIInChI=1S/C14H13N5OS2/c1-9-11(14(20)19(2)6-10-7-21-8-17-10)22-13(18-9)12-15-4-3-5-16-12/h3-5,7-8H,6H2,1-2H3
InChIKeyAAHJRGCVEADOOO-UHFFFAOYSA-N
XLogP2.64
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 47061775
N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51089134
4-[methyl-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119137189
3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63189346
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,4-dimethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55818369
N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080833
4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013339
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51089635
4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide
CID 47402715
2-hydroxy-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 54990504
N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 97315027
3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107872599

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-pyrimidin-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-2-pyrimidin-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazole-5-carboxamide (CID 47870890) is N,4-dimethyl-2-pyrimidin-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-pyrimidin-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-2-pyrimidin-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncccn2)sc1C(=O)N(C)Cc1cscn1.
What is the InChIKey of N,4-dimethyl-2-pyrimidin-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is AAHJRGCVEADOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS2/c1-9-11(14(20)19(2)6-10-7-21-8-17-10)22-13(18-9)12-15-4-3-5-16-12/h3-5,7-8H,6H2,1-2H3.
What are the key properties of N,4-dimethyl-2-pyrimidin-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazole-5-carboxamide?
N,4-dimethyl-2-pyrimidin-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 331.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-pyrimidin-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47870890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).