N-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine

C12H9ClN4S2 — CID 108777078

IUPACN-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(-c3cccs3)cs2)nc(Cl)n1
InChIInChI=1S/C12H9ClN4S2/c1-7-5-10(16-11(13)14-7)17-12-15-8(6-19-12)9-3-2-4-18-9/h2-6H,1H3,(H,14,15,16,17)
InChIKeyLQCFDVMSGDTDNZ-UHFFFAOYSA-N
MW308.82 g/mol
LogP4.37
Rot. Bonds3

About N-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine

N-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 108777078) has the molecular formula C12H9ClN4S2 and a molecular weight of 308.82 g/mol. Its IUPAC name is N-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID108777078
Molecular FormulaC12H9ClN4S2
Molecular Weight308.82 g/mol
Exact Mass308.00
IUPAC NameN-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(-c3cccs3)cs2)nc(Cl)n1
InChIInChI=1S/C12H9ClN4S2/c1-7-5-10(16-11(13)14-7)17-12-15-8(6-19-12)9-3-2-4-18-9/h2-6H,1H3,(H,14,15,16,17)
InChIKeyLQCFDVMSGDTDNZ-UHFFFAOYSA-N
XLogP4.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.82
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 108777078) is N-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine is Cc1cc(Nc2nc(-c3cccs3)cs2)nc(Cl)n1.
What is the InChIKey of N-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is LQCFDVMSGDTDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4S2/c1-7-5-10(16-11(13)14-7)17-12-15-8(6-19-12)9-3-2-4-18-9/h2-6H,1H3,(H,14,15,16,17).
What are the key properties of N-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
N-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 308.82 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 108777078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).