N-cyclopropyl-5-methyl-1,2,4-thiadiazole-3-carboxamide

C7H9N3OS — CID 135170504

IUPACN-cyclopropyl-5-methyl-1,2,4-thiadiazole-3-carboxamide
SMILESCc1nc(C(=O)NC2CC2)ns1
InChIInChI=1S/C7H9N3OS/c1-4-8-6(10-12-4)7(11)9-5-2-3-5/h5H,2-3H2,1H3,(H,9,11)
InChIKeyPDRGGEMYLWNBDG-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.74
Rot. Bonds2

About N-cyclopropyl-5-methyl-1,2,4-thiadiazole-3-carboxamide

N-cyclopropyl-5-methyl-1,2,4-thiadiazole-3-carboxamide (PubChem CID 135170504) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-1,2,4-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-1,2,4-thiadiazole-3-carboxamide
PubChem CID135170504
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC NameN-cyclopropyl-5-methyl-1,2,4-thiadiazole-3-carboxamide
SMILESCc1nc(C(=O)NC2CC2)ns1
InChIInChI=1S/C7H9N3OS/c1-4-8-6(10-12-4)7(11)9-5-2-3-5/h5H,2-3H2,1H3,(H,9,11)
InChIKeyPDRGGEMYLWNBDG-UHFFFAOYSA-N
XLogP0.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(dimethylamino)ethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807138
N-cyclopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807143
N-isopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807130
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide
CID 71913844
N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925917
(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide
CID 124596954
N-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 131185475
3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-5-carboxamide
CID 92070660
N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304728
N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305104
N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 130629023
3-tert-butyl-N-methyl-1,2,4-thiadiazole-5-carboxamide
CID 68241252

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-1,2,4-thiadiazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-1,2,4-thiadiazole-3-carboxamide (CID 135170504) is N-cyclopropyl-5-methyl-1,2,4-thiadiazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-1,2,4-thiadiazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-1,2,4-thiadiazole-3-carboxamide is Cc1nc(C(=O)NC2CC2)ns1.
What is the InChIKey of N-cyclopropyl-5-methyl-1,2,4-thiadiazole-3-carboxamide?
The InChIKey is PDRGGEMYLWNBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-4-8-6(10-12-4)7(11)9-5-2-3-5/h5H,2-3H2,1H3,(H,9,11).
What are the key properties of N-cyclopropyl-5-methyl-1,2,4-thiadiazole-3-carboxamide?
N-cyclopropyl-5-methyl-1,2,4-thiadiazole-3-carboxamide has a molecular weight of 183.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-1,2,4-thiadiazole-3-carboxamide is sourced from PubChem (CID 135170504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).