1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

C17H19N7OS — CID 126788231

IUPAC1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCc1ccc(Cc2nnc(NC(=O)NC3CCc4ncnn4C3)s2)cc1
InChIInChI=1S/C17H19N7OS/c1-11-2-4-12(5-3-11)8-15-22-23-17(26-15)21-16(25)20-13-6-7-14-18-10-19-24(14)9-13/h2-5,10,13H,6-9H2,1H3,(H2,20,21,23,25)
InChIKeyXFDLSVKRGUYTIU-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.17
Rot. Bonds4

About 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (PubChem CID 126788231) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
PubChem CID126788231
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCc1ccc(Cc2nnc(NC(=O)NC3CCc4ncnn4C3)s2)cc1
InChIInChI=1S/C17H19N7OS/c1-11-2-4-12(5-3-11)8-15-22-23-17(26-15)21-16(25)20-13-6-7-14-18-10-19-24(14)9-13/h2-5,10,13H,6-9H2,1H3,(H2,20,21,23,25)
InChIKeyXFDLSVKRGUYTIU-UHFFFAOYSA-N
XLogP2.17
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea with MolForge

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Related Compounds

1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99631296
1-(5-methyl-2-pyridinyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86804769
2-chloro-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 170911206
1-(3-phenyl-1,2-thiazol-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 126831651
1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99581775
1-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(2,4,5-trifluorophenyl)urea
CID 99631930
1-[[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122079781
1-(2-propan-2-ylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86800724
1-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119777341
1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 126788269
1-[2-(dimethylamino)ethyl]-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
CID 75500132
1-[5-(6-methoxy-3-pyridinyl)-2-methylphenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 129482090

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The IUPAC name of 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (CID 126788231) is 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The canonical SMILES for 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is Cc1ccc(Cc2nnc(NC(=O)NC3CCc4ncnn4C3)s2)cc1.
What is the InChIKey of 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The InChIKey is XFDLSVKRGUYTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-11-2-4-12(5-3-11)8-15-22-23-17(26-15)21-16(25)20-13-6-7-14-18-10-19-24(14)9-13/h2-5,10,13H,6-9H2,1H3,(H2,20,21,23,25).
What are the key properties of 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea has a molecular weight of 369.45 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is sourced from PubChem (CID 126788231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).