4-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole

C12H15N3S — CID 71992965

IUPAC4-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
SMILESCn1cc(-c2nc(C3CCCC3)cs2)cn1
InChIInChI=1S/C12H15N3S/c1-15-7-10(6-13-15)12-14-11(8-16-12)9-4-2-3-5-9/h6-9H,2-5H2,1H3
InChIKeyKSUXJJCJEHRTDR-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.20
Rot. Bonds2

About 4-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole

4-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole (PubChem CID 71992965) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
PubChem CID71992965
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
SMILESCn1cc(-c2nc(C3CCCC3)cs2)cn1
InChIInChI=1S/C12H15N3S/c1-15-7-10(6-13-15)12-14-11(8-16-12)9-4-2-3-5-9/h6-9H,2-5H2,1H3
InChIKeyKSUXJJCJEHRTDR-UHFFFAOYSA-N
XLogP3.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Methylpyrazol-4-yl)-4-[(4-propylazepan-1-yl)methyl]-1,3-thiazole
CID 48941168
4-[[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole
CID 53602914
4-[[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 53603908
2-Cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 56825166
2-Tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 56825180
4-[[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 118741509
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 72142020
2-methyl-4-[(2S)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 124889166
4-(Cyclopropylmethyl)-2-(1-methyltriazol-4-yl)-1,3-thiazole
CID 137955978
2-cyclopentyl-4-[[(3S)-3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 164638579
4-(Difluoromethyl)-2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazole
CID 117761371
4-[3-Methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]butyl]-2-propan-2-yl-1,3-thiazole
CID 155109920

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
The IUPAC name of 4-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole (CID 71992965) is 4-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
The canonical SMILES for 4-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole is Cn1cc(-c2nc(C3CCCC3)cs2)cn1.
What is the InChIKey of 4-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
The InChIKey is KSUXJJCJEHRTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-15-7-10(6-13-15)12-14-11(8-16-12)9-4-2-3-5-9/h6-9H,2-5H2,1H3.
What are the key properties of 4-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
4-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole has a molecular weight of 233.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 71992965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).