N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C15H14N4OS2 — CID 96579417

IUPACN-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESC[C@H](c1ccncn1)N(C)C(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C15H14N4OS2/c1-10(11-5-6-16-9-17-11)19(2)15(20)12-8-22-14(18-12)13-4-3-7-21-13/h3-10H,1-2H3/t10-/m1/s1
InChIKeyYCNRDJBOSYNGGV-SNVBAGLBSA-N
MW330.44 g/mol
LogP3.49
Rot. Bonds4

About N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 96579417) has the molecular formula C15H14N4OS2 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID96579417
Molecular FormulaC15H14N4OS2
Molecular Weight330.44 g/mol
Exact Mass330.06
IUPAC NameN-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESC[C@H](c1ccncn1)N(C)C(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C15H14N4OS2/c1-10(11-5-6-16-9-17-11)19(2)15(20)12-8-22-14(18-12)13-4-3-7-21-13/h3-10H,1-2H3/t10-/m1/s1
InChIKeyYCNRDJBOSYNGGV-SNVBAGLBSA-N
XLogP3.49
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70716880
N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 134058808
2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide
CID 95977103
1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539913
2-(4-chlorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 42923069
5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 45205519
N-methyl-3-phenyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 126446006
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70710732
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119727054
N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119444395
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyrimidin-4-ylethyl]benzamide
CID 126441900

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 96579417) is N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is C[C@H](c1ccncn1)N(C)C(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is YCNRDJBOSYNGGV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14N4OS2/c1-10(11-5-6-16-9-17-11)19(2)15(20)12-8-22-14(18-12)13-4-3-7-21-13/h3-10H,1-2H3/t10-/m1/s1.
What are the key properties of N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 96579417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).