N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C12H20N4OS — CID 106015395

IUPACN-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCCCC2CCCC2)s1
InChIInChI=1S/C12H20N4OS/c1-13-12-16-15-11(18-12)10(17)14-8-4-7-9-5-2-3-6-9/h9H,2-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyFXCQFIVFAQPHDU-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.28
Rot. Bonds6

About N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 106015395) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID106015395
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCCCC2CCCC2)s1
InChIInChI=1S/C12H20N4OS/c1-13-12-16-15-11(18-12)10(17)14-8-4-7-9-5-2-3-6-9/h9H,2-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyFXCQFIVFAQPHDU-UHFFFAOYSA-N
XLogP2.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616090
5-(methylamino)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617943
N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615777
N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615073
N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615428
5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618607
2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate
CID 83215592
N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615896
5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617281
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106342589
N-[2-(ethylamino)-2-oxoethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615644

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 106015395) is N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NCCCC2CCCC2)s1.
What is the InChIKey of N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is FXCQFIVFAQPHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-13-12-16-15-11(18-12)10(17)14-8-4-7-9-5-2-3-6-9/h9H,2-8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 106015395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).