1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea

C18H23N3OS — CID 86960431

IUPAC1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
SMILESO=C(NCCC1CCCC1)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H23N3OS/c22-18(19-11-10-14-6-4-5-7-14)20-12-16-13-23-17(21-16)15-8-2-1-3-9-15/h1-3,8-9,13-14H,4-7,10-12H2,(H2,19,20,22)
InChIKeyMSSQFALUBBGXKF-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.19
Rot. Bonds6

About 1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea

1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 86960431) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID86960431
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
SMILESO=C(NCCC1CCCC1)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H23N3OS/c22-18(19-11-10-14-6-4-5-7-14)20-12-16-13-23-17(21-16)15-8-2-1-3-9-15/h1-3,8-9,13-14H,4-7,10-12H2,(H2,19,20,22)
InChIKeyMSSQFALUBBGXKF-UHFFFAOYSA-N
XLogP4.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 51710217
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336
1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
CID 111506338
cis-(1S,2R)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886534
trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886542
1-(4-hydroxy-2-methylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
CID 111455538
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 72916172
(2R)-1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 97145298
1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81167912
3-[(2-cyclopentylethylcarbamoylamino)methyl]benzoic acid
CID 61205581
(4S)-3-(3-cyclopentylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 50831160
2,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 167897689

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea (CID 86960431) is 1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea is O=C(NCCC1CCCC1)NCc1csc(-c2ccccc2)n1.
What is the InChIKey of 1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is MSSQFALUBBGXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c22-18(19-11-10-14-6-4-5-7-14)20-12-16-13-23-17(21-16)15-8-2-1-3-9-15/h1-3,8-9,13-14H,4-7,10-12H2,(H2,19,20,22).
What are the key properties of 1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 329.47 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 86960431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).