2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

C9H13NS — CID 130511936

IUPAC2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCCCc1nc2c(s1)CCC2
InChIInChI=1S/C9H13NS/c1-2-4-9-10-7-5-3-6-8(7)11-9/h2-6H2,1H3
InChIKeyOKTIELLCTNQEGL-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.58
Rot. Bonds2

About 2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 130511936) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID130511936
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCCCc1nc2c(s1)CCC2
InChIInChI=1S/C9H13NS/c1-2-4-9-10-7-5-3-6-8(7)11-9/h2-6H2,1H3
InChIKeyOKTIELLCTNQEGL-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58541380
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol
CID 83390528
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine;dihydrochloride
CID 47000761
2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-N-methylethanamine
CID 4223788
N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine
CID 82114962
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hexan-1-amine
CID 115887221
2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
CID 115066888
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-ethoxypropanamide
CID 119066686
ethyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate
CID 110460548
4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine
CID 3469612
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4,5,6-trimethylpyrimidin-2-amine
CID 163305721
N-butyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 110388540

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 130511936) is 2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is CCCc1nc2c(s1)CCC2.
What is the InChIKey of 2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is OKTIELLCTNQEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-2-4-9-10-7-5-3-6-8(7)11-9/h2-6H2,1H3.
What are the key properties of 2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 167.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 130511936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).