N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide

C20H15ClN4OS3 — CID 24652666

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide
SMILESCSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C20H15ClN4OS3/c1-11-16(19(27-2)24-17(22-11)15-8-5-9-28-15)18(26)25-20-23-14(10-29-20)12-6-3-4-7-13(12)21/h3-10H,1-2H3,(H,23,25,26)
InChIKeyKFDLVIWXGCBXHK-UHFFFAOYSA-N
MW459.02 g/mol
LogP6.26
Rot. Bonds5

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide (PubChem CID 24652666) has the molecular formula C20H15ClN4OS3 and a molecular weight of 459.02 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide
PubChem CID24652666
Molecular FormulaC20H15ClN4OS3
Molecular Weight459.02 g/mol
Exact Mass458.01
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide
SMILESCSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C20H15ClN4OS3/c1-11-16(19(27-2)24-17(22-11)15-8-5-9-28-15)18(26)25-20-23-14(10-29-20)12-6-3-4-7-13(12)21/h3-10H,1-2H3,(H,23,25,26)
InChIKeyKFDLVIWXGCBXHK-UHFFFAOYSA-N
XLogP6.26
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.02
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78847672
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547
4-methyl-6-methylsulfanyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 24652684
N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 24652692
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2127353
4-methyl-6-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 24652638
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 24980783
2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4200224
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19195203
N-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 4845975
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 18102049

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide (CID 24652666) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide is CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide?
The InChIKey is KFDLVIWXGCBXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4OS3/c1-11-16(19(27-2)24-17(22-11)15-8-5-9-28-15)18(26)25-20-23-14(10-29-20)12-6-3-4-7-13(12)21/h3-10H,1-2H3,(H,23,25,26).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide has a molecular weight of 459.02 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 24652666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).