1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea

C16H19N3S2 — CID 100560521

IUPAC1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
SMILESCc1nc(-c2cccc(NC(=S)NC3CCCC3)c2)cs1
InChIInChI=1S/C16H19N3S2/c1-11-17-15(10-21-11)12-5-4-8-14(9-12)19-16(20)18-13-6-2-3-7-13/h4-5,8-10,13H,2-3,6-7H2,1H3,(H2,18,19,20)
InChIKeyFMUKQZWNDFOHIO-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.35
Rot. Bonds3

About 1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea

1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea (PubChem CID 100560521) has the molecular formula C16H19N3S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
PubChem CID100560521
Molecular FormulaC16H19N3S2
Molecular Weight317.48 g/mol
Exact Mass317.10
IUPAC Name1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
SMILESCc1nc(-c2cccc(NC(=S)NC3CCCC3)c2)cs1
InChIInChI=1S/C16H19N3S2/c1-11-17-15(10-21-11)12-5-4-8-14(9-12)19-16(20)18-13-6-2-3-7-13/h4-5,8-10,13H,2-3,6-7H2,1H3,(H2,18,19,20)
InChIKeyFMUKQZWNDFOHIO-UHFFFAOYSA-N
XLogP4.35
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 108780488
1-[(2R)-butan-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560500
1-cyclohexyl-3-(3-phenylphenyl)thiourea
CID 57392119
1-cycloheptyl-3-(3-methylphenyl)thiourea
CID 8627954
(1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 9166489
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 43707323
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560847
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560858
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270940
(2S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270942
N-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 64500643
N-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 104860018

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
The IUPAC name of 1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea (CID 100560521) is 1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea.
What is the SMILES notation for 1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
The canonical SMILES for 1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea is Cc1nc(-c2cccc(NC(=S)NC3CCCC3)c2)cs1.
What is the InChIKey of 1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
The InChIKey is FMUKQZWNDFOHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S2/c1-11-17-15(10-21-11)12-5-4-8-14(9-12)19-16(20)18-13-6-2-3-7-13/h4-5,8-10,13H,2-3,6-7H2,1H3,(H2,18,19,20).
What are the key properties of 1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea has a molecular weight of 317.48 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea is sourced from PubChem (CID 100560521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).