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

C12H9ClN4S2 — CID 108777084

IUPACN-(6-chloro-2-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESCc1nc(Cl)cc(Nc2nc(-c3cccs3)cs2)n1
InChIInChI=1S/C12H9ClN4S2/c1-7-14-10(13)5-11(15-7)17-12-16-8(6-19-12)9-3-2-4-18-9/h2-6H,1H3,(H,14,15,16,17)
InChIKeyRYLSWZAXLWZDPI-UHFFFAOYSA-N
MW308.82 g/mol
LogP4.37
Rot. Bonds3

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

N-(6-chloro-2-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 108777084) has the molecular formula C12H9ClN4S2 and a molecular weight of 308.82 g/mol. Its IUPAC name is N-(6-chloro-2-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-2-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID108777084
Molecular FormulaC12H9ClN4S2
Molecular Weight308.82 g/mol
Exact Mass308.00
IUPAC NameN-(6-chloro-2-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESCc1nc(Cl)cc(Nc2nc(-c3cccs3)cs2)n1
InChIInChI=1S/C12H9ClN4S2/c1-7-14-10(13)5-11(15-7)17-12-16-8(6-19-12)9-3-2-4-18-9/h2-6H,1H3,(H,14,15,16,17)
InChIKeyRYLSWZAXLWZDPI-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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Related Compounds

N-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 108777078
N-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 854639
2-chloro-4-methyl-6-thiophen-2-ylpyridine
CID 142254642
3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol
CID 2215270
N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide
CID 5344926
5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7513050
4-(chloromethyl)-N-(2-methyl-6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 108778499
N-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 108777939
N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 3128431
2,4-dimethyl-6-thiophen-2-ylpyrimidine
CID 15626100
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110535518
2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4200224

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(6-chloro-2-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 108777084) is N-(6-chloro-2-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-chloro-2-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-chloro-2-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine is Cc1nc(Cl)cc(Nc2nc(-c3cccs3)cs2)n1.
What is the InChIKey of N-(6-chloro-2-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is RYLSWZAXLWZDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4S2/c1-7-14-10(13)5-11(15-7)17-12-16-8(6-19-12)9-3-2-4-18-9/h2-6H,1H3,(H,14,15,16,17).
What are the key properties of N-(6-chloro-2-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
N-(6-chloro-2-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-(6-chloro-2-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 108777084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).