3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide

C13H15N3OS — CID 71807159

IUPAC3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCCc2ccccc2)n1
InChIInChI=1S/C13H15N3OS/c1-10-15-13(18-16-10)12(17)14-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,14,17)
InChIKeyMVOSVWHHWUFCKY-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.21
Rot. Bonds5

About 3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide

3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807159) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807159
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCCc2ccccc2)n1
InChIInChI=1S/C13H15N3OS/c1-10-15-13(18-16-10)12(17)14-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,14,17)
InChIKeyMVOSVWHHWUFCKY-UHFFFAOYSA-N
XLogP2.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 20889831
3-phenylpropylurea;hydrochloride
CID 174579396
5-acetyl-N-(3-phenylpropyl)thiophene-2-carboxamide
CID 36843403
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
2,6,8-trimethyl-N-(3-phenylpropyl)quinoline-4-carboxamide
CID 50765976
3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 26518394
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
N-(3-phenylpropyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385213
2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373582
2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362757
8-phenyloctylcarbamic acid
CID 90271205
2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 20959691

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide (CID 71807159) is 3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)NCCCc2ccccc2)n1.
What is the InChIKey of 3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is MVOSVWHHWUFCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-10-15-13(18-16-10)12(17)14-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,14,17).
What are the key properties of 3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide?
3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).