4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole

C14H16N2S — CID 67547913

IUPAC4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole
SMILESc1cncc(-c2nc(CC3CCCC3)cs2)c1
InChIInChI=1S/C14H16N2S/c1-2-5-11(4-1)8-13-10-17-14(16-13)12-6-3-7-15-9-12/h3,6-7,9-11H,1-2,4-5,8H2
InChIKeyNAAOCALGGPMGIO-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.94
Rot. Bonds3

About 4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole

4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole (PubChem CID 67547913) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole
PubChem CID67547913
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole
SMILESc1cncc(-c2nc(CC3CCCC3)cs2)c1
InChIInChI=1S/C14H16N2S/c1-2-5-11(4-1)8-13-10-17-14(16-13)12-6-3-7-15-9-12/h3,6-7,9-11H,1-2,4-5,8H2
InChIKeyNAAOCALGGPMGIO-UHFFFAOYSA-N
XLogP3.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919957
4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole
CID 18913481
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61280471
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
CID 50972952
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119468149
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119423521
2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione
CID 91901612
benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918530
5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 103167465
N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39080979
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 134059948
N-cyclohexyl-N-methyl-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazine-1-sulfonamide
CID 55599294

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole (CID 67547913) is 4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole is c1cncc(-c2nc(CC3CCCC3)cs2)c1.
What is the InChIKey of 4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is NAAOCALGGPMGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-2-5-11(4-1)8-13-10-17-14(16-13)12-6-3-7-15-9-12/h3,6-7,9-11H,1-2,4-5,8H2.
What are the key properties of 4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole?
4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 244.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 67547913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).