2-(4-tert-butyl-6-chloropyrimidin-2-yl)-5-chloro-1,3-thiazole

C11H11Cl2N3S — CID 107124671

IUPAC2-(4-tert-butyl-6-chloropyrimidin-2-yl)-5-chloro-1,3-thiazole
SMILESCC(C)(C)c1cc(Cl)nc(-c2ncc(Cl)s2)n1
InChIInChI=1S/C11H11Cl2N3S/c1-11(2,3)6-4-7(12)16-9(15-6)10-14-5-8(13)17-10/h4-5H,1-3H3
InChIKeyIGZRZICBLPSVJP-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.20
Rot. Bonds1

About 2-(4-tert-butyl-6-chloropyrimidin-2-yl)-5-chloro-1,3-thiazole

2-(4-tert-butyl-6-chloropyrimidin-2-yl)-5-chloro-1,3-thiazole (PubChem CID 107124671) has the molecular formula C11H11Cl2N3S and a molecular weight of 288.20 g/mol. Its IUPAC name is 2-(4-tert-butyl-6-chloropyrimidin-2-yl)-5-chloro-1,3-thiazole.

Molecular Properties

Compound Name2-(4-tert-butyl-6-chloropyrimidin-2-yl)-5-chloro-1,3-thiazole
PubChem CID107124671
Molecular FormulaC11H11Cl2N3S
Molecular Weight288.20 g/mol
Exact Mass287.01
IUPAC Name2-(4-tert-butyl-6-chloropyrimidin-2-yl)-5-chloro-1,3-thiazole
SMILESCC(C)(C)c1cc(Cl)nc(-c2ncc(Cl)s2)n1
InChIInChI=1S/C11H11Cl2N3S/c1-11(2,3)6-4-7(12)16-9(15-6)10-14-5-8(13)17-10/h4-5H,1-3H3
InChIKeyIGZRZICBLPSVJP-UHFFFAOYSA-N
XLogP4.20
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine
CID 43557541
4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine
CID 43557554
4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine
CID 43557888
2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine
CID 113398187
4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine
CID 62946502
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-phenylpyrimidin-4-amine
CID 107125311
2-(5-chloro-1,3-thiazol-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 107125278
2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 107125280
2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
CID 107125310
5-chloro-2-[4,6-dichloro-5-(2-methylphenyl)pyrimidin-2-yl]-1,3-thiazole
CID 107124713
2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropylpyrimidin-4-amine
CID 107125320
2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 107125389

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-6-chloropyrimidin-2-yl)-5-chloro-1,3-thiazole?
The IUPAC name of 2-(4-tert-butyl-6-chloropyrimidin-2-yl)-5-chloro-1,3-thiazole (CID 107124671) is 2-(4-tert-butyl-6-chloropyrimidin-2-yl)-5-chloro-1,3-thiazole.
What is the SMILES notation for 2-(4-tert-butyl-6-chloropyrimidin-2-yl)-5-chloro-1,3-thiazole?
The canonical SMILES for 2-(4-tert-butyl-6-chloropyrimidin-2-yl)-5-chloro-1,3-thiazole is CC(C)(C)c1cc(Cl)nc(-c2ncc(Cl)s2)n1.
What is the InChIKey of 2-(4-tert-butyl-6-chloropyrimidin-2-yl)-5-chloro-1,3-thiazole?
The InChIKey is IGZRZICBLPSVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3S/c1-11(2,3)6-4-7(12)16-9(15-6)10-14-5-8(13)17-10/h4-5H,1-3H3.
What are the key properties of 2-(4-tert-butyl-6-chloropyrimidin-2-yl)-5-chloro-1,3-thiazole?
2-(4-tert-butyl-6-chloropyrimidin-2-yl)-5-chloro-1,3-thiazole has a molecular weight of 288.20 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-6-chloropyrimidin-2-yl)-5-chloro-1,3-thiazole is sourced from PubChem (CID 107124671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).