N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

C16H15N3O2S — CID 17397231

IUPACN-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCC(C)c1ccc(-c2nnc(NC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C16H15N3O2S/c1-10(2)11-5-7-12(8-6-11)15-18-19-16(22-15)17-14(20)13-4-3-9-21-13/h3-10H,1-2H3,(H,17,19,20)
InChIKeyRTHYHTINBXCJLB-UHFFFAOYSA-N
MW313.38 g/mol
LogP4.17
Rot. Bonds4

About N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 17397231) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID17397231
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCC(C)c1ccc(-c2nnc(NC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C16H15N3O2S/c1-10(2)11-5-7-12(8-6-11)15-18-19-16(22-15)17-14(20)13-4-3-9-21-13/h3-10H,1-2H3,(H,17,19,20)
InChIKeyRTHYHTINBXCJLB-UHFFFAOYSA-N
XLogP4.17
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 16564266
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 686182
N-[(2S,3S)-1-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]furan-2-carboxamide
CID 7411771
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 860502
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941
4-(methylsulfanylmethyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 18275341
N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 7322531
1-benzyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide
CID 24620826
2-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-1H-pyridine-4-carboxamide
CID 75380502
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254
2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226434
N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55522660

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 17397231) is N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is CC(C)c1ccc(-c2nnc(NC(=O)c3ccco3)s2)cc1.
What is the InChIKey of N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is RTHYHTINBXCJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10(2)11-5-7-12(8-6-11)15-18-19-16(22-15)17-14(20)13-4-3-9-21-13/h3-10H,1-2H3,(H,17,19,20).
What are the key properties of N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 17397231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).