1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea

C14H14N4OS — CID 90603725

IUPAC1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea
SMILESN#Cc1cnc(NC(=O)NCCCc2ccccc2)s1
InChIInChI=1S/C14H14N4OS/c15-9-12-10-17-14(20-12)18-13(19)16-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-8H2,(H2,16,17,18,19)
InChIKeyYZKWQNDKUDNPGQ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.77
Rot. Bonds5

About 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea

1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea (PubChem CID 90603725) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea
PubChem CID90603725
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea
SMILESN#Cc1cnc(NC(=O)NCCCc2ccccc2)s1
InChIInChI=1S/C14H14N4OS/c15-9-12-10-17-14(20-12)18-13(19)16-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-8H2,(H2,16,17,18,19)
InChIKeyYZKWQNDKUDNPGQ-UHFFFAOYSA-N
XLogP2.77
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea
CID 47148360
2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide
CID 166432032
1-(3-phenylpropyl)-3-pyrazin-2-ylurea
CID 108893900
2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide
CID 90603571
N-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 90603616
1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(3-phenylpropyl)urea
CID 121081224
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea
CID 86841626
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
2-(3-phenylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 80572360
1-(2-iodophenyl)-3-(3-phenylpropyl)urea
CID 47192907
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 90603698

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea?
The IUPAC name of 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea (CID 90603725) is 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea is N#Cc1cnc(NC(=O)NCCCc2ccccc2)s1.
What is the InChIKey of 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea?
The InChIKey is YZKWQNDKUDNPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c15-9-12-10-17-14(20-12)18-13(19)16-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-8H2,(H2,16,17,18,19).
What are the key properties of 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea?
1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea has a molecular weight of 286.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea is sourced from PubChem (CID 90603725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).