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

C7H10N4OS — CID 80615428

IUPACN-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC2CC2)s1
InChIInChI=1S/C7H10N4OS/c1-8-7-11-10-6(13-7)5(12)9-4-2-3-4/h4H,2-3H2,1H3,(H,8,11)(H,9,12)
InChIKeySQXXSOYDZDDYIP-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.47
Rot. Bonds3

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

N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615428) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615428
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC NameN-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC2CC2)s1
InChIInChI=1S/C7H10N4OS/c1-8-7-11-10-6(13-7)5(12)9-4-2-3-4/h4H,2-3H2,1H3,(H,8,11)(H,9,12)
InChIKeySQXXSOYDZDDYIP-UHFFFAOYSA-N
XLogP0.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615777
N-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107856285
5-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617130
5-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80624519
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616887
N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619130
N-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616011
N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106015395
N-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615607
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 80615425
N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615073

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80615428) is N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is SQXXSOYDZDDYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c1-8-7-11-10-6(13-7)5(12)9-4-2-3-4/h4H,2-3H2,1H3,(H,8,11)(H,9,12).
What are the key properties of N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 198.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).