N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide

C14H11N3OS2 — CID 4191915

IUPACN-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESCc1cccc(-c2nnc(NC(=O)c3cccs3)s2)c1
InChIInChI=1S/C14H11N3OS2/c1-9-4-2-5-10(8-9)13-16-17-14(20-13)15-12(18)11-6-3-7-19-11/h2-8H,1H3,(H,15,17,18)
InChIKeyMSHYTEDSWNKCRI-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.83
Rot. Bonds3

About N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide

N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 4191915) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
PubChem CID4191915
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC NameN-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESCc1cccc(-c2nnc(NC(=O)c3cccs3)s2)c1
InChIInChI=1S/C14H11N3OS2/c1-9-4-2-5-10(8-9)13-16-17-14(20-13)15-12(18)11-6-3-7-19-11/h2-8H,1H3,(H,15,17,18)
InChIKeyMSHYTEDSWNKCRI-UHFFFAOYSA-N
XLogP3.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methyl-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]thiophene-2-carboxamide
CID 42757626
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 48585499
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 4111551
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-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987
2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191838
2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 23458586
N-[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 82176812
[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 14091195
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 N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (CID 4191915) is N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is Cc1cccc(-c2nnc(NC(=O)c3cccs3)s2)c1.
What is the InChIKey of N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is MSHYTEDSWNKCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2/c1-9-4-2-5-10(8-9)13-16-17-14(20-13)15-12(18)11-6-3-7-19-11/h2-8H,1H3,(H,15,17,18).
What are the key properties of N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 301.40 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 4191915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).