3-cyclopropyl-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

C15H15N5OS — CID 110385365

IUPAC3-cyclopropyl-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCC(NC(=O)c1nn2c(C3CC3)nnc2s1)c1ccccc1
InChIInChI=1S/C15H15N5OS/c1-9(10-5-3-2-4-6-10)16-13(21)14-19-20-12(11-7-8-11)17-18-15(20)22-14/h2-6,9,11H,7-8H2,1H3,(H,16,21)
InChIKeyCWUOXZLDRAOVQD-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.55
Rot. Bonds4

About 3-cyclopropyl-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

3-cyclopropyl-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110385365) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 3-cyclopropyl-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110385365
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name3-cyclopropyl-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCC(NC(=O)c1nn2c(C3CC3)nnc2s1)c1ccccc1
InChIInChI=1S/C15H15N5OS/c1-9(10-5-3-2-4-6-10)16-13(21)14-19-20-12(11-7-8-11)17-18-15(20)22-14/h2-6,9,11H,7-8H2,1H3,(H,16,21)
InChIKeyCWUOXZLDRAOVQD-UHFFFAOYSA-N
XLogP2.55
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide with MolForge

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Related Compounds

N-(1-phenylethyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385168
methyl 4-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carbonyl)amino]benzoate
CID 110385486
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 8723737
4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 107863851
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
CID 114356350
N-(1-phenylethyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134359
N-[(1S)-1-phenylethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 95092719
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 9451251
5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide
CID 56973796
5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 122171416

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110385365) is 3-cyclopropyl-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is CC(NC(=O)c1nn2c(C3CC3)nnc2s1)c1ccccc1.
What is the InChIKey of 3-cyclopropyl-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is CWUOXZLDRAOVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-9(10-5-3-2-4-6-10)16-13(21)14-19-20-12(11-7-8-11)17-18-15(20)22-14/h2-6,9,11H,7-8H2,1H3,(H,16,21).
What are the key properties of 3-cyclopropyl-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
3-cyclopropyl-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110385365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).