5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

C10H9N3OS — CID 154810072

IUPAC5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cccc(-c2nnc(C(N)=O)s2)c1
InChIInChI=1S/C10H9N3OS/c1-6-3-2-4-7(5-6)9-12-13-10(15-9)8(11)14/h2-5H,1H3,(H2,11,14)
InChIKeyOLGKKOXNAREUOM-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.61
Rot. Bonds2

About 5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 154810072) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID154810072
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cccc(-c2nnc(C(N)=O)s2)c1
InChIInChI=1S/C10H9N3OS/c1-6-3-2-4-7(5-6)9-12-13-10(15-9)8(11)14/h2-5H,1H3,(H2,11,14)
InChIKeyOLGKKOXNAREUOM-UHFFFAOYSA-N
XLogP1.61
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 68801294
4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116887735
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834
[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 14091195
2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191838
[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
CID 45263058
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 4191915
4-tert-butyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1002981
4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 977301
N-[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 82176812
2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 23458586
2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 4117288

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 154810072) is 5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is Cc1cccc(-c2nnc(C(N)=O)s2)c1.
What is the InChIKey of 5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is OLGKKOXNAREUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-6-3-2-4-7(5-6)9-12-13-10(15-9)8(11)14/h2-5H,1H3,(H2,11,14).
What are the key properties of 5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 219.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 154810072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).