(2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide

C11H16N6OS — CID 95141316

IUPAC(2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCCCc1nnc(NC(=O)[C@@H](C)n2cncn2)s1
InChIInChI=1S/C11H16N6OS/c1-3-4-5-9-15-16-11(19-9)14-10(18)8(2)17-7-12-6-13-17/h6-8H,3-5H2,1-2H3,(H,14,16,18)/t8-/m1/s1
InChIKeyVQFMMYKIWYRMFW-MRVPVSSYSA-N
MW280.36 g/mol
LogP1.67
Rot. Bonds6

About (2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide

(2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 95141316) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is (2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID95141316
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC Name(2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCCCc1nnc(NC(=O)[C@@H](C)n2cncn2)s1
InChIInChI=1S/C11H16N6OS/c1-3-4-5-9-15-16-11(19-9)14-10(18)8(2)17-7-12-6-13-17/h6-8H,3-5H2,1-2H3,(H,14,16,18)/t8-/m1/s1
InChIKeyVQFMMYKIWYRMFW-MRVPVSSYSA-N
XLogP1.67
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
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2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride
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N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 122558312
N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 60729091
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxy-4-methylpentyl)urea
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CID 37072032
N-(5-propyl-1H-pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
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N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 83032149
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 60803673

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide (CID 95141316) is (2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide is CCCCc1nnc(NC(=O)[C@@H](C)n2cncn2)s1.
What is the InChIKey of (2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is VQFMMYKIWYRMFW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N6OS/c1-3-4-5-9-15-16-11(19-9)14-10(18)8(2)17-7-12-6-13-17/h6-8H,3-5H2,1-2H3,(H,14,16,18)/t8-/m1/s1.
What are the key properties of (2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
(2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 280.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 95141316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).