N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide

C14H11ClN4OS2 — CID 4308951

IUPACN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cn1
InChIInChI=1S/C14H11ClN4OS2/c1-7-3-11-10(4-9(7)15)18-14(22-11)19-12(20)8-5-16-13(21-2)17-6-8/h3-6H,1-2H3,(H,18,19,20)
InChIKeyYWRGKOWDYZAHAI-UHFFFAOYSA-N
MW350.86 g/mol
LogP4.02
Rot. Bonds3

About N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide

N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 4308951) has the molecular formula C14H11ClN4OS2 and a molecular weight of 350.86 g/mol. Its IUPAC name is N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID4308951
Molecular FormulaC14H11ClN4OS2
Molecular Weight350.86 g/mol
Exact Mass350.01
IUPAC NameN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cn1
InChIInChI=1S/C14H11ClN4OS2/c1-7-3-11-10(4-9(7)15)18-14(22-11)19-12(20)8-5-16-13(21-2)17-6-8/h3-6H,1-2H3,(H,18,19,20)
InChIKeyYWRGKOWDYZAHAI-UHFFFAOYSA-N
XLogP4.02
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.86
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 3582023
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 960429
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 17100920
2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 979290
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4502392
4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 40625136
2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 7524836
N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 141404422
2-chloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 1314620
6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151807
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100996

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide (CID 4308951) is N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cn1.
What is the InChIKey of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is YWRGKOWDYZAHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS2/c1-7-3-11-10(4-9(7)15)18-14(22-11)19-12(20)8-5-16-13(21-2)17-6-8/h3-6H,1-2H3,(H,18,19,20).
What are the key properties of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide?
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 350.86 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 4308951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).