4-methyl-6-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)-2-thiophen-2-ylpyrimidine-5-carboxamide

C15H14N4OS3 — CID 24664087

IUPAC4-methyl-6-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)-2-thiophen-2-ylpyrimidine-5-carboxamide
SMILESCSc1nc(-c2cccs2)nc(C)c1C(=O)/N=c1\sccn1C
InChIInChI=1S/C15H14N4OS3/c1-9-11(13(20)18-15-19(2)6-8-23-15)14(21-3)17-12(16-9)10-5-4-7-22-10/h4-8H,1-3H3/b18-15-
InChIKeyJVQCKTLPFQCPCB-SDXDJHTJSA-N
MW362.51 g/mol
LogP3.38
Rot. Bonds3

About 4-methyl-6-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)-2-thiophen-2-ylpyrimidine-5-carboxamide

4-methyl-6-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)-2-thiophen-2-ylpyrimidine-5-carboxamide (PubChem CID 24664087) has the molecular formula C15H14N4OS3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 4-methyl-6-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)-2-thiophen-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-6-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)-2-thiophen-2-ylpyrimidine-5-carboxamide
PubChem CID24664087
Molecular FormulaC15H14N4OS3
Molecular Weight362.51 g/mol
Exact Mass362.03
IUPAC Name4-methyl-6-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)-2-thiophen-2-ylpyrimidine-5-carboxamide
SMILESCSc1nc(-c2cccs2)nc(C)c1C(=O)/N=c1\sccn1C
InChIInChI=1S/C15H14N4OS3/c1-9-11(13(20)18-15-19(2)6-8-23-15)14(21-3)17-12(16-9)10-5-4-7-22-10/h4-8H,1-3H3/b18-15-
InChIKeyJVQCKTLPFQCPCB-SDXDJHTJSA-N
XLogP3.38
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538
4-methyl-6-methylsulfanyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 24652684
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxylate
CID 46543147
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 24652666
4-methyl-6-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 24652638
N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 24652692
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxylate
CID 46543137
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxylate
CID 24669968
N-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide
CID 9101394
(E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide
CID 131235703
4-[(S)-methylsulfinyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 95148026
N-(3-methyl-1,3-thiazol-2-ylidene)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 52528697

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)-2-thiophen-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-6-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)-2-thiophen-2-ylpyrimidine-5-carboxamide (CID 24664087) is 4-methyl-6-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)-2-thiophen-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-6-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)-2-thiophen-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-6-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)-2-thiophen-2-ylpyrimidine-5-carboxamide is CSc1nc(-c2cccs2)nc(C)c1C(=O)/N=c1\sccn1C.
What is the InChIKey of 4-methyl-6-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)-2-thiophen-2-ylpyrimidine-5-carboxamide?
The InChIKey is JVQCKTLPFQCPCB-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H14N4OS3/c1-9-11(13(20)18-15-19(2)6-8-23-15)14(21-3)17-12(16-9)10-5-4-7-22-10/h4-8H,1-3H3/b18-15-.
What are the key properties of 4-methyl-6-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)-2-thiophen-2-ylpyrimidine-5-carboxamide?
4-methyl-6-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)-2-thiophen-2-ylpyrimidine-5-carboxamide has a molecular weight of 362.51 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)-2-thiophen-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 24664087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).