4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide

C11H11ClN4OS2 — CID 18858811

IUPAC4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2nc(C)c(C)s2)c(Cl)n1
InChIInChI=1S/C11H11ClN4OS2/c1-5-6(2)19-11(14-5)16-9(17)7-4-13-10(18-3)15-8(7)12/h4H,1-3H3,(H,14,16,17)
InChIKeyRSWZFKVVJFAOBH-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.18
Rot. Bonds3

About 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide

4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 18858811) has the molecular formula C11H11ClN4OS2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID18858811
Molecular FormulaC11H11ClN4OS2
Molecular Weight314.82 g/mol
Exact Mass314.01
IUPAC Name4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2nc(C)c(C)s2)c(Cl)n1
InChIInChI=1S/C11H11ClN4OS2/c1-5-6(2)19-11(14-5)16-9(17)7-4-13-10(18-3)15-8(7)12/h4H,1-3H3,(H,14,16,17)
InChIKeyRSWZFKVVJFAOBH-UHFFFAOYSA-N
XLogP3.18
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide (CID 18858811) is 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)Nc2nc(C)c(C)s2)c(Cl)n1.
What is the InChIKey of 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is RSWZFKVVJFAOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS2/c1-5-6(2)19-11(14-5)16-9(17)7-4-13-10(18-3)15-8(7)12/h4H,1-3H3,(H,14,16,17).
What are the key properties of 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide?
4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 314.82 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 18858811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).