1-[4-(cyclopentylmethyl)-1,3-thiazol-2-yl]ethyl formate

C12H17NO2S — CID 174863788

IUPAC1-[4-(cyclopentylmethyl)-1,3-thiazol-2-yl]ethyl formate
SMILESCC(OC=O)c1nc(CC2CCCC2)cs1
InChIInChI=1S/C12H17NO2S/c1-9(15-8-14)12-13-11(7-16-12)6-10-4-2-3-5-10/h7-10H,2-6H2,1H3
InChIKeySMTKFAUIKCJCQI-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.11
Rot. Bonds5

About 1-[4-(cyclopentylmethyl)-1,3-thiazol-2-yl]ethyl formate

1-[4-(cyclopentylmethyl)-1,3-thiazol-2-yl]ethyl formate (PubChem CID 174863788) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[4-(cyclopentylmethyl)-1,3-thiazol-2-yl]ethyl formate.

Molecular Properties

Compound Name1-[4-(cyclopentylmethyl)-1,3-thiazol-2-yl]ethyl formate
PubChem CID174863788
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-[4-(cyclopentylmethyl)-1,3-thiazol-2-yl]ethyl formate
SMILESCC(OC=O)c1nc(CC2CCCC2)cs1
InChIInChI=1S/C12H17NO2S/c1-9(15-8-14)12-13-11(7-16-12)6-10-4-2-3-5-10/h7-10H,2-6H2,1H3
InChIKeySMTKFAUIKCJCQI-UHFFFAOYSA-N
XLogP3.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentylmethyl)-1,3-thiazol-2-yl]ethyl formate?
The IUPAC name of 1-[4-(cyclopentylmethyl)-1,3-thiazol-2-yl]ethyl formate (CID 174863788) is 1-[4-(cyclopentylmethyl)-1,3-thiazol-2-yl]ethyl formate.
What is the SMILES notation for 1-[4-(cyclopentylmethyl)-1,3-thiazol-2-yl]ethyl formate?
The canonical SMILES for 1-[4-(cyclopentylmethyl)-1,3-thiazol-2-yl]ethyl formate is CC(OC=O)c1nc(CC2CCCC2)cs1.
What is the InChIKey of 1-[4-(cyclopentylmethyl)-1,3-thiazol-2-yl]ethyl formate?
The InChIKey is SMTKFAUIKCJCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9(15-8-14)12-13-11(7-16-12)6-10-4-2-3-5-10/h7-10H,2-6H2,1H3.
What are the key properties of 1-[4-(cyclopentylmethyl)-1,3-thiazol-2-yl]ethyl formate?
1-[4-(cyclopentylmethyl)-1,3-thiazol-2-yl]ethyl formate has a molecular weight of 239.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentylmethyl)-1,3-thiazol-2-yl]ethyl formate is sourced from PubChem (CID 174863788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).