2-[(2S)-2-(4-chloropyrazol-1-yl)propyl]-4-methyl-1,3-thiazole

C10H12ClN3S — CID 96508015

IUPAC2-[(2S)-2-(4-chloropyrazol-1-yl)propyl]-4-methyl-1,3-thiazole
SMILESCc1csc(C[C@H](C)n2cc(Cl)cn2)n1
InChIInChI=1S/C10H12ClN3S/c1-7-6-15-10(13-7)3-8(2)14-5-9(11)4-12-14/h4-6,8H,3H2,1-2H3/t8-/m0/s1
InChIKeyQFPFOWVYNJRMDK-QMMMGPOBSA-N
MW241.75 g/mol
LogP3.11
Rot. Bonds3

About 2-[(2S)-2-(4-chloropyrazol-1-yl)propyl]-4-methyl-1,3-thiazole

2-[(2S)-2-(4-chloropyrazol-1-yl)propyl]-4-methyl-1,3-thiazole (PubChem CID 96508015) has the molecular formula C10H12ClN3S and a molecular weight of 241.75 g/mol. Its IUPAC name is 2-[(2S)-2-(4-chloropyrazol-1-yl)propyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2S)-2-(4-chloropyrazol-1-yl)propyl]-4-methyl-1,3-thiazole
PubChem CID96508015
Molecular FormulaC10H12ClN3S
Molecular Weight241.75 g/mol
Exact Mass241.04
IUPAC Name2-[(2S)-2-(4-chloropyrazol-1-yl)propyl]-4-methyl-1,3-thiazole
SMILESCc1csc(C[C@H](C)n2cc(Cl)cn2)n1
InChIInChI=1S/C10H12ClN3S/c1-7-6-15-10(13-7)3-8(2)14-5-9(11)4-12-14/h4-6,8H,3H2,1-2H3/t8-/m0/s1
InChIKeyQFPFOWVYNJRMDK-QMMMGPOBSA-N
XLogP3.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.75
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(4-chloropyrazol-1-yl)propyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(2S)-2-(4-chloropyrazol-1-yl)propyl]-4-methyl-1,3-thiazole (CID 96508015) is 2-[(2S)-2-(4-chloropyrazol-1-yl)propyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(2S)-2-(4-chloropyrazol-1-yl)propyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(2S)-2-(4-chloropyrazol-1-yl)propyl]-4-methyl-1,3-thiazole is Cc1csc(C[C@H](C)n2cc(Cl)cn2)n1.
What is the InChIKey of 2-[(2S)-2-(4-chloropyrazol-1-yl)propyl]-4-methyl-1,3-thiazole?
The InChIKey is QFPFOWVYNJRMDK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12ClN3S/c1-7-6-15-10(13-7)3-8(2)14-5-9(11)4-12-14/h4-6,8H,3H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-[(2S)-2-(4-chloropyrazol-1-yl)propyl]-4-methyl-1,3-thiazole?
2-[(2S)-2-(4-chloropyrazol-1-yl)propyl]-4-methyl-1,3-thiazole has a molecular weight of 241.75 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(4-chloropyrazol-1-yl)propyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 96508015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).