5-(4-chloro-3-cyclopentylbutyl)-4-methyl-1,3-thiazole

C13H20ClNS — CID 112570415

IUPAC5-(4-chloro-3-cyclopentylbutyl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCC(CCl)C1CCCC1
InChIInChI=1S/C13H20ClNS/c1-10-13(16-9-15-10)7-6-12(8-14)11-4-2-3-5-11/h9,11-12H,2-8H2,1H3
InChIKeySVROIRFCWQIIGU-UHFFFAOYSA-N
MW257.83 g/mol
LogP4.43
Rot. Bonds5

About 5-(4-chloro-3-cyclopentylbutyl)-4-methyl-1,3-thiazole

5-(4-chloro-3-cyclopentylbutyl)-4-methyl-1,3-thiazole (PubChem CID 112570415) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is 5-(4-chloro-3-cyclopentylbutyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-chloro-3-cyclopentylbutyl)-4-methyl-1,3-thiazole
PubChem CID112570415
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC Name5-(4-chloro-3-cyclopentylbutyl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCC(CCl)C1CCCC1
InChIInChI=1S/C13H20ClNS/c1-10-13(16-9-15-10)7-6-12(8-14)11-4-2-3-5-11/h9,11-12H,2-8H2,1H3
InChIKeySVROIRFCWQIIGU-UHFFFAOYSA-N
XLogP4.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine
CID 114899207
1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 79436563
(1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81384108
N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine
CID 60983764
1,1-di(cyclobutyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 114274461
2-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62529443
1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 112628398
1-cyclobutyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115717718
3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol
CID 79424726
5-[4-chloro-3-(3-methylphenyl)butyl]-4-methyl-1,3-thiazole
CID 79423423
2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentan-1-ol
CID 79424345
9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470686

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-cyclopentylbutyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(4-chloro-3-cyclopentylbutyl)-4-methyl-1,3-thiazole (CID 112570415) is 5-(4-chloro-3-cyclopentylbutyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(4-chloro-3-cyclopentylbutyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(4-chloro-3-cyclopentylbutyl)-4-methyl-1,3-thiazole is Cc1ncsc1CCC(CCl)C1CCCC1.
What is the InChIKey of 5-(4-chloro-3-cyclopentylbutyl)-4-methyl-1,3-thiazole?
The InChIKey is SVROIRFCWQIIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c1-10-13(16-9-15-10)7-6-12(8-14)11-4-2-3-5-11/h9,11-12H,2-8H2,1H3.
What are the key properties of 5-(4-chloro-3-cyclopentylbutyl)-4-methyl-1,3-thiazole?
5-(4-chloro-3-cyclopentylbutyl)-4-methyl-1,3-thiazole has a molecular weight of 257.83 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-cyclopentylbutyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 112570415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).