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

C18H12N4O2S3 — CID 2346862

IUPACN-[4-phenyl-5-(thiophene-2-carbonylimino)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(/N=c1\sc(NC(=O)c2cccs2)nn1-c1ccccc1)c1cccs1
InChIInChI=1S/C18H12N4O2S3/c23-15(13-8-4-10-25-13)19-17-21-22(12-6-2-1-3-7-12)18(27-17)20-16(24)14-9-5-11-26-14/h1-11H,(H,19,21,23)/b20-18-
InChIKeyOEKJWYJUEMTWTR-ZZEZOPTASA-N
MW412.52 g/mol
LogP4.05
Rot. Bonds4

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

N-[4-phenyl-5-(thiophene-2-carbonylimino)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 2346862) has the molecular formula C18H12N4O2S3 and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[4-phenyl-5-(thiophene-2-carbonylimino)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-phenyl-5-(thiophene-2-carbonylimino)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
PubChem CID2346862
Molecular FormulaC18H12N4O2S3
Molecular Weight412.52 g/mol
Exact Mass412.01
IUPAC NameN-[4-phenyl-5-(thiophene-2-carbonylimino)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(/N=c1\sc(NC(=O)c2cccs2)nn1-c1ccccc1)c1cccs1
InChIInChI=1S/C18H12N4O2S3/c23-15(13-8-4-10-25-13)19-17-21-22(12-6-2-1-3-7-12)18(27-17)20-16(24)14-9-5-11-26-14/h1-11H,(H,19,21,23)/b20-18-
InChIKeyOEKJWYJUEMTWTR-ZZEZOPTASA-N
XLogP4.05
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride
CID 146120934
5-chloro-3-methyl-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide
CID 46603289
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
CID 6880016
N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 972595
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17414617
N-(5-amino-4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 82342247
N-[3-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide
CID 39964667
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
CID 2715146
N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide
CID 113028800
N,4-diphenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxamide
CID 15832223
N-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18292171

Frequently Asked Questions

What is the IUPAC name of N-[4-phenyl-5-(thiophene-2-carbonylimino)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-phenyl-5-(thiophene-2-carbonylimino)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (CID 2346862) is N-[4-phenyl-5-(thiophene-2-carbonylimino)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-phenyl-5-(thiophene-2-carbonylimino)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-phenyl-5-(thiophene-2-carbonylimino)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is O=C(/N=c1\sc(NC(=O)c2cccs2)nn1-c1ccccc1)c1cccs1.
What is the InChIKey of N-[4-phenyl-5-(thiophene-2-carbonylimino)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is OEKJWYJUEMTWTR-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H12N4O2S3/c23-15(13-8-4-10-25-13)19-17-21-22(12-6-2-1-3-7-12)18(27-17)20-16(24)14-9-5-11-26-14/h1-11H,(H,19,21,23)/b20-18-.
What are the key properties of N-[4-phenyl-5-(thiophene-2-carbonylimino)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
N-[4-phenyl-5-(thiophene-2-carbonylimino)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-phenyl-5-(thiophene-2-carbonylimino)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2346862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).