4-pyridin-2-yl-2-pyrimidin-2-yl-1,3-thiazole

C12H8N4S — CID 140993853

IUPAC4-pyridin-2-yl-2-pyrimidin-2-yl-1,3-thiazole
SMILESc1ccc(-c2csc(-c3ncccn3)n2)nc1
InChIInChI=1S/C12H8N4S/c1-2-5-13-9(4-1)10-8-17-12(16-10)11-14-6-3-7-15-11/h1-8H
InChIKeyUHQJSZBFLHDJFZ-UHFFFAOYSA-N
MW240.29 g/mol
LogP2.66
Rot. Bonds2

About 4-pyridin-2-yl-2-pyrimidin-2-yl-1,3-thiazole

4-pyridin-2-yl-2-pyrimidin-2-yl-1,3-thiazole (PubChem CID 140993853) has the molecular formula C12H8N4S and a molecular weight of 240.29 g/mol. Its IUPAC name is 4-pyridin-2-yl-2-pyrimidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-pyridin-2-yl-2-pyrimidin-2-yl-1,3-thiazole
PubChem CID140993853
Molecular FormulaC12H8N4S
Molecular Weight240.29 g/mol
Exact Mass240.05
IUPAC Name4-pyridin-2-yl-2-pyrimidin-2-yl-1,3-thiazole
SMILESc1ccc(-c2csc(-c3ncccn3)n2)nc1
InChIInChI=1S/C12H8N4S/c1-2-5-13-9(4-1)10-8-17-12(16-10)11-14-6-3-7-15-11/h1-8H
InChIKeyUHQJSZBFLHDJFZ-UHFFFAOYSA-N
XLogP2.66
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine
CID 447956
4-(Pyridin-2-yl)-1,3-thiazol-2-amine
CID 1092459
N-(4-(2,4-Dimethyl-thiazol-5-YL)-pyrimidin-2-YL)-N',N'-dimethyl-benzene-1,4-diamine
CID 447962
N-(5-chloropyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 973099
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556143
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine
CID 972880
2-Pyrimidinamine, 4-(2,4-dimethyl-5-thiazolyl)-N-phenyl-
CID 6539280
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-fluorophenyl)pyrimidin-2-amine
CID 6539285
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)pyrimidin-2-amine
CID 6539286
2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 35
CID 6539300
4U5Bza9NL4
CID 9813424

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-2-pyrimidin-2-yl-1,3-thiazole?
The IUPAC name of 4-pyridin-2-yl-2-pyrimidin-2-yl-1,3-thiazole (CID 140993853) is 4-pyridin-2-yl-2-pyrimidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-pyridin-2-yl-2-pyrimidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-pyridin-2-yl-2-pyrimidin-2-yl-1,3-thiazole is c1ccc(-c2csc(-c3ncccn3)n2)nc1.
What is the InChIKey of 4-pyridin-2-yl-2-pyrimidin-2-yl-1,3-thiazole?
The InChIKey is UHQJSZBFLHDJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4S/c1-2-5-13-9(4-1)10-8-17-12(16-10)11-14-6-3-7-15-11/h1-8H.
What are the key properties of 4-pyridin-2-yl-2-pyrimidin-2-yl-1,3-thiazole?
4-pyridin-2-yl-2-pyrimidin-2-yl-1,3-thiazole has a molecular weight of 240.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-2-pyrimidin-2-yl-1,3-thiazole is sourced from PubChem (CID 140993853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).