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

C14H11ClN4OS2 — CID 55873365

IUPACN-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C14H11ClN4OS2/c1-8-11(13(20)18-7-9-3-4-10(15)21-9)22-14(19-8)12-16-5-2-6-17-12/h2-6H,7H2,1H3,(H,18,20)
InChIKeyGYLGKYLLRDLHLN-UHFFFAOYSA-N
MW350.86 g/mol
LogP3.55
Rot. Bonds4

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

N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55873365) has the molecular formula C14H11ClN4OS2 and a molecular weight of 350.86 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55873365
Molecular FormulaC14H11ClN4OS2
Molecular Weight350.86 g/mol
Exact Mass350.01
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C14H11ClN4OS2/c1-8-11(13(20)18-7-9-3-4-10(15)21-9)22-14(19-8)12-16-5-2-6-17-12/h2-6H,7H2,1H3,(H,18,20)
InChIKeyGYLGKYLLRDLHLN-UHFFFAOYSA-N
XLogP3.55
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.86
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51089635
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47208477
N-[(3-carbamoylphenyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55872207
3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
CID 167969718
N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 47061769
N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51088106
N-(3-aminopropyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 119408938
2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 86848562
4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55870412
N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138190
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 56523982
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 107519034

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 55873365) is N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncccn2)sc1C(=O)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is GYLGKYLLRDLHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS2/c1-8-11(13(20)18-7-9-3-4-10(15)21-9)22-14(19-8)12-16-5-2-6-17-12/h2-6H,7H2,1H3,(H,18,20).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 350.86 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55873365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).