4-(cyclopentylmethyl)-1,3-thiazole

C9H13NS — CID 174863673

IUPAC4-(cyclopentylmethyl)-1,3-thiazole
SMILESc1nc(CC2CCCC2)cs1
InChIInChI=1S/C9H13NS/c1-2-4-8(3-1)5-9-6-11-7-10-9/h6-8H,1-5H2
InChIKeyZADXWOGWVPGBME-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.88
Rot. Bonds2

About 4-(cyclopentylmethyl)-1,3-thiazole

4-(cyclopentylmethyl)-1,3-thiazole (PubChem CID 174863673) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-1,3-thiazole
PubChem CID174863673
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name4-(cyclopentylmethyl)-1,3-thiazole
SMILESc1nc(CC2CCCC2)cs1
InChIInChI=1S/C9H13NS/c1-2-4-8(3-1)5-9-6-11-7-10-9/h6-8H,1-5H2
InChIKeyZADXWOGWVPGBME-UHFFFAOYSA-N
XLogP2.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclobutylmethyl)-1,3-thiazole;formohydrazide
CID 174863680
2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
CID 83484853
N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830953
N-(1,3-thiazol-4-ylmethyl)cyclooctanamine
CID 60687158
1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea
CID 49481828
3-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one
CID 104679273
4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine
CID 65088346
3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115639498
2-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-2-amine
CID 103700191
4-(fluoromethyl)-1,3-thiazole
CID 76551954
N-cyclohexyl-3-(1,3-thiazol-4-yl)propanamide
CID 110679381
1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol
CID 111425443

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-1,3-thiazole?
The IUPAC name of 4-(cyclopentylmethyl)-1,3-thiazole (CID 174863673) is 4-(cyclopentylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(cyclopentylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(cyclopentylmethyl)-1,3-thiazole is c1nc(CC2CCCC2)cs1.
What is the InChIKey of 4-(cyclopentylmethyl)-1,3-thiazole?
The InChIKey is ZADXWOGWVPGBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-2-4-8(3-1)5-9-6-11-7-10-9/h6-8H,1-5H2.
What are the key properties of 4-(cyclopentylmethyl)-1,3-thiazole?
4-(cyclopentylmethyl)-1,3-thiazole has a molecular weight of 167.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-1,3-thiazole is sourced from PubChem (CID 174863673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).