1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea

C15H19N3OS — CID 86841626

IUPAC1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea
SMILESCc1ncc(CNC(=O)NCCCc2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-12-17-10-14(20-12)11-18-15(19)16-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3,(H2,16,18,19)
InChIKeyMJCRRCCMBFUBFO-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.88
Rot. Bonds6

About 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea

1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea (PubChem CID 86841626) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea
PubChem CID86841626
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea
SMILESCc1ncc(CNC(=O)NCCCc2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-12-17-10-14(20-12)11-18-15(19)16-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3,(H2,16,18,19)
InChIKeyMJCRRCCMBFUBFO-UHFFFAOYSA-N
XLogP2.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86842153
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea
CID 86842046
2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110852278
2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78916971
1-[1-(2-methylphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841602
1-(3-phenylpropyl)-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea
CID 121131937
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86841729
1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea
CID 108881887
2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120595863
1-[2-[bis[2-(3-phenylpropylcarbamoylamino)ethyl]amino]ethyl]-3-(3-phenylpropyl)urea
CID 101049094
2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
CID 54962423

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea (CID 86841626) is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea is Cc1ncc(CNC(=O)NCCCc2ccccc2)s1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea?
The InChIKey is MJCRRCCMBFUBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-12-17-10-14(20-12)11-18-15(19)16-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3,(H2,16,18,19).
What are the key properties of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea?
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea has a molecular weight of 289.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 86841626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).