4-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-1,3-thiazole

C16H12ClN3S — CID 170992532

IUPAC4-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-1,3-thiazole
SMILESClc1ccccc1-c1cnc(C2CC2)nc1-c1cscn1
InChIInChI=1S/C16H12ClN3S/c17-13-4-2-1-3-11(13)12-7-18-16(10-5-6-10)20-15(12)14-8-21-9-19-14/h1-4,7-10H,5-6H2
InChIKeyOFSBQJQFLGYWPV-UHFFFAOYSA-N
MW313.81 g/mol
LogP4.80
Rot. Bonds3

About 4-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-1,3-thiazole

4-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-1,3-thiazole (PubChem CID 170992532) has the molecular formula C16H12ClN3S and a molecular weight of 313.81 g/mol. Its IUPAC name is 4-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-1,3-thiazole
PubChem CID170992532
Molecular FormulaC16H12ClN3S
Molecular Weight313.81 g/mol
Exact Mass313.04
IUPAC Name4-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-1,3-thiazole
SMILESClc1ccccc1-c1cnc(C2CC2)nc1-c1cscn1
InChIInChI=1S/C16H12ClN3S/c17-13-4-2-1-3-11(13)12-7-18-16(10-5-6-10)20-15(12)14-8-21-9-19-14/h1-4,7-10H,5-6H2
InChIKeyOFSBQJQFLGYWPV-UHFFFAOYSA-N
XLogP4.80
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole
CID 170994469
5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-1,3-oxazole
CID 142606816
4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine
CID 112554811
5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-2-phenoxy-1,3-oxazole
CID 142606823
N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine
CID 117211859
6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80975338
N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
CID 117211824
N'-acetyl-5-(2-chlorophenyl)-2-cyclopropyl-N'-pyridin-2-ylpyrimidine-4-carbohydrazide
CID 146449241
4-(2-chlorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine
CID 62077356
tert-butyl N-[[5-(2-chlorophenyl)-2-cyclopropylpyrimidine-4-carbonyl]amino]-N-methylcarbamate
CID 150588786
4-(2-chlorophenyl)-2-(4-cyclopropyl-3-pyridinyl)-1,3-thiazole
CID 91281047
7-chloro-2-cyclopropylquinazoline
CID 172741252

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-1,3-thiazole?
The IUPAC name of 4-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-1,3-thiazole (CID 170992532) is 4-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-1,3-thiazole?
The canonical SMILES for 4-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-1,3-thiazole is Clc1ccccc1-c1cnc(C2CC2)nc1-c1cscn1.
What is the InChIKey of 4-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-1,3-thiazole?
The InChIKey is OFSBQJQFLGYWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3S/c17-13-4-2-1-3-11(13)12-7-18-16(10-5-6-10)20-15(12)14-8-21-9-19-14/h1-4,7-10H,5-6H2.
What are the key properties of 4-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-1,3-thiazole?
4-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-1,3-thiazole has a molecular weight of 313.81 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 170992532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).