N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide

C9H12N6OS — CID 113276435

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2ncn[nH]2)s1
InChIInChI=1S/C9H12N6OS/c1-5(2)3-6-13-15-9(17-6)12-8(16)7-10-4-11-14-7/h4-5H,3H2,1-2H3,(H,10,11,14)(H,12,15,16)
InChIKeyXQMRZKUHWCQIBX-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.11
Rot. Bonds4

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 113276435) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID113276435
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2ncn[nH]2)s1
InChIInChI=1S/C9H12N6OS/c1-5(2)3-6-13-15-9(17-6)12-8(16)7-10-4-11-14-7/h4-5H,3H2,1-2H3,(H,10,11,14)(H,12,15,16)
InChIKeyXQMRZKUHWCQIBX-UHFFFAOYSA-N
XLogP1.11
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-imidazole-2-carboxamide
CID 110466560
3-chloro-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 106260360
5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-oxazole-4-carboxamide
CID 138993399
2,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 24647679
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
2,3-dihydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 104931749
3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 16548056
2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide
CID 51148567
3-amino-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 103580701
5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 47114781
4-amino-5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide
CID 106259563
2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 102709910

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide (CID 113276435) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide is CC(C)Cc1nnc(NC(=O)c2ncn[nH]2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is XQMRZKUHWCQIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c1-5(2)3-6-13-15-9(17-6)12-8(16)7-10-4-11-14-7/h4-5H,3H2,1-2H3,(H,10,11,14)(H,12,15,16).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 252.30 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 113276435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).