N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C16H16N4OS2 — CID 47061775

IUPACN,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1sc(-c2ncccn2)nc1C
InChIInChI=1S/C16H16N4OS2/c1-10-5-8-22-12(10)9-20(3)16(21)13-11(2)19-15(23-13)14-17-6-4-7-18-14/h4-8H,9H2,1-3H3
InChIKeyCXLXZVWFQAFDBV-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.55
Rot. Bonds4

About N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 47061775) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID47061775
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC NameN,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1sc(-c2ncccn2)nc1C
InChIInChI=1S/C16H16N4OS2/c1-10-5-8-22-12(10)9-20(3)16(21)13-11(2)19-15(23-13)14-17-6-4-7-18-14/h4-8H,9H2,1-3H3
InChIKeyCXLXZVWFQAFDBV-UHFFFAOYSA-N
XLogP3.55
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 51237676
N,4-dimethyl-2-pyrimidin-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 47870890
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
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,4-dimethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55818369
4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 60651279
2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoic acid
CID 60953427
2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 39951443
N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 97315027
4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 61106846
N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080833
N,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 134047298

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 47061775) is N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is Cc1ccsc1CN(C)C(=O)c1sc(-c2ncccn2)nc1C.
What is the InChIKey of N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is CXLXZVWFQAFDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-10-5-8-22-12(10)9-20(3)16(21)13-11(2)19-15(23-13)14-17-6-4-7-18-14/h4-8H,9H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 344.47 g/mol, XLogP of 3.55, 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-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47061775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).