1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea

C16H18N6OS — CID 86790045

IUPAC1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea
SMILESCc1cnc(C(C)CNC(=O)Nc2ccc(-n3ccnn3)cc2)s1
InChIInChI=1S/C16H18N6OS/c1-11(15-17-10-12(2)24-15)9-18-16(23)20-13-3-5-14(6-4-13)22-8-7-19-21-22/h3-8,10-11H,9H2,1-2H3,(H2,18,20,23)
InChIKeyWWGRABGYYNXOHF-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.96
Rot. Bonds5

About 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea

1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea (PubChem CID 86790045) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea
PubChem CID86790045
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea
SMILESCc1cnc(C(C)CNC(=O)Nc2ccc(-n3ccnn3)cc2)s1
InChIInChI=1S/C16H18N6OS/c1-11(15-17-10-12(2)24-15)9-18-16(23)20-13-3-5-14(6-4-13)22-8-7-19-21-22/h3-8,10-11H,9H2,1-2H3,(H2,18,20,23)
InChIKeyWWGRABGYYNXOHF-UHFFFAOYSA-N
XLogP2.96
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,2-diethoxyethyl)-3-[4-(triazol-1-yl)phenyl]urea
CID 10519663
1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97305979
1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea
CID 71861224
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505091
N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide
CID 97243759
1-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]urea
CID 129421233
2-methyl-3-[methyl-[[4-(triazol-1-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122078901
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 84599979
1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea
CID 111969731
1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[4-(triazol-1-yl)phenyl]urea
CID 75389119
2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid
CID 122009883
N-[(2S)-2-anilinopropyl]-4-(triazol-1-yl)benzamide
CID 97082837

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea?
The IUPAC name of 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea (CID 86790045) is 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea is Cc1cnc(C(C)CNC(=O)Nc2ccc(-n3ccnn3)cc2)s1.
What is the InChIKey of 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea?
The InChIKey is WWGRABGYYNXOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-11(15-17-10-12(2)24-15)9-18-16(23)20-13-3-5-14(6-4-13)22-8-7-19-21-22/h3-8,10-11H,9H2,1-2H3,(H2,18,20,23).
What are the key properties of 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea?
1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea has a molecular weight of 342.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea is sourced from PubChem (CID 86790045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).