1-cyclopropyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea

C14H15N3OS — CID 110747649

IUPAC1-cyclopropyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea
SMILESO=C(Nc1ccccc1)N(Cc1nccs1)C1CC1
InChIInChI=1S/C14H15N3OS/c18-14(16-11-4-2-1-3-5-11)17(12-6-7-12)10-13-15-8-9-19-13/h1-5,8-9,12H,6-7,10H2,(H,16,18)
InChIKeyLCWZFPNPISAPGN-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.34
Rot. Bonds4

About 1-cyclopropyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea

1-cyclopropyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea (PubChem CID 110747649) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea
PubChem CID110747649
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-cyclopropyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea
SMILESO=C(Nc1ccccc1)N(Cc1nccs1)C1CC1
InChIInChI=1S/C14H15N3OS/c18-14(16-11-4-2-1-3-5-11)17(12-6-7-12)10-13-15-8-9-19-13/h1-5,8-9,12H,6-7,10H2,(H,16,18)
InChIKeyLCWZFPNPISAPGN-UHFFFAOYSA-N
XLogP3.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 150356043
1-cyclopropyl-3-(2-methyl-1,3-benzothiazol-5-yl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 72864955
N-cyclopentyl-2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 158834559
2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110715860
methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate
CID 110715870
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide
CID 110715819
3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-cyclopropyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 125156602
1-cyclopropyl-3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(1,3-thiazol-2-ylmethyl)urea
CID 119069451
N-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 50976083
N-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 110715827
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 91793841
N-benzyl-2-[cyclopropyl-[(4-methylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 46114415

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea (CID 110747649) is 1-cyclopropyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea is O=C(Nc1ccccc1)N(Cc1nccs1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea?
The InChIKey is LCWZFPNPISAPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-14(16-11-4-2-1-3-5-11)17(12-6-7-12)10-13-15-8-9-19-13/h1-5,8-9,12H,6-7,10H2,(H,16,18).
What are the key properties of 1-cyclopropyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea?
1-cyclopropyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea has a molecular weight of 273.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea is sourced from PubChem (CID 110747649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).