1-methyl-1-[(2-phenyltriazol-4-yl)methyl]-3-(1,2-thiazol-5-yl)urea

C14H14N6OS — CID 167933159

IUPAC1-methyl-1-[(2-phenyltriazol-4-yl)methyl]-3-(1,2-thiazol-5-yl)urea
SMILESCN(Cc1cnn(-c2ccccc2)n1)C(=O)Nc1ccns1
InChIInChI=1S/C14H14N6OS/c1-19(14(21)17-13-7-8-16-22-13)10-11-9-15-20(18-11)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,21)
InChIKeyRCOUNSVJQBPVME-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.39
Rot. Bonds4

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

1-methyl-1-[(2-phenyltriazol-4-yl)methyl]-3-(1,2-thiazol-5-yl)urea (PubChem CID 167933159) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 1-methyl-1-[(2-phenyltriazol-4-yl)methyl]-3-(1,2-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-methyl-1-[(2-phenyltriazol-4-yl)methyl]-3-(1,2-thiazol-5-yl)urea
PubChem CID167933159
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name1-methyl-1-[(2-phenyltriazol-4-yl)methyl]-3-(1,2-thiazol-5-yl)urea
SMILESCN(Cc1cnn(-c2ccccc2)n1)C(=O)Nc1ccns1
InChIInChI=1S/C14H14N6OS/c1-19(14(21)17-13-7-8-16-22-13)10-11-9-15-20(18-11)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,21)
InChIKeyRCOUNSVJQBPVME-UHFFFAOYSA-N
XLogP2.39
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[methyl-[(2-phenyltriazol-4-yl)methyl]carbamoyl]amino]propanoic acid
CID 122017669
(2R)-2-amino-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide;hydrochloride
CID 119293398
2-[ethyl-[3-[[methyl-[(2-phenyltriazol-4-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122025383
N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
CID 71758233
2-chloro-N-[(2-phenyltriazol-4-yl)methyl]acetamide
CID 39871069
2-[(2-phenyltriazol-4-yl)methylamino]propanoic acid
CID 54959625
3-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120981009
N-methyl-2-(2-phenyltriazol-4-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]acetamide
CID 155944287
4-[(2-phenyltriazol-4-yl)methylcarbamoyl]benzoic acid
CID 167931495
3-methyl-1-(2-phenyltriazol-4-yl)but-3-en-1-one
CID 105112598
N-butyl-N-methyl-2-phenyltriazole-4-carboxamide
CID 110702374
N,N-dimethyl-2-phenyltriazole-4-carboxamide
CID 22103711

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2-phenyltriazol-4-yl)methyl]-3-(1,2-thiazol-5-yl)urea?
The IUPAC name of 1-methyl-1-[(2-phenyltriazol-4-yl)methyl]-3-(1,2-thiazol-5-yl)urea (CID 167933159) is 1-methyl-1-[(2-phenyltriazol-4-yl)methyl]-3-(1,2-thiazol-5-yl)urea.
What is the SMILES notation for 1-methyl-1-[(2-phenyltriazol-4-yl)methyl]-3-(1,2-thiazol-5-yl)urea?
The canonical SMILES for 1-methyl-1-[(2-phenyltriazol-4-yl)methyl]-3-(1,2-thiazol-5-yl)urea is CN(Cc1cnn(-c2ccccc2)n1)C(=O)Nc1ccns1.
What is the InChIKey of 1-methyl-1-[(2-phenyltriazol-4-yl)methyl]-3-(1,2-thiazol-5-yl)urea?
The InChIKey is RCOUNSVJQBPVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c1-19(14(21)17-13-7-8-16-22-13)10-11-9-15-20(18-11)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,21).
What are the key properties of 1-methyl-1-[(2-phenyltriazol-4-yl)methyl]-3-(1,2-thiazol-5-yl)urea?
1-methyl-1-[(2-phenyltriazol-4-yl)methyl]-3-(1,2-thiazol-5-yl)urea has a molecular weight of 314.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2-phenyltriazol-4-yl)methyl]-3-(1,2-thiazol-5-yl)urea is sourced from PubChem (CID 167933159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).