N-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide

C22H17N3O2S2 — CID 18292171

IUPACN-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(/N=c1/sccn1Cc1ccccc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C22H17N3O2S2/c26-20(24-22-25(12-14-29-22)15-16-5-2-1-3-6-16)17-8-10-18(11-9-17)23-21(27)19-7-4-13-28-19/h1-14H,15H2,(H,23,27)/b24-22+
InChIKeyDPMMRESSOBUDMU-ZNTNEXAZSA-N
MW419.53 g/mol
LogP4.65
Rot. Bonds5

About N-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 18292171) has the molecular formula C22H17N3O2S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID18292171
Molecular FormulaC22H17N3O2S2
Molecular Weight419.53 g/mol
Exact Mass419.08
IUPAC NameN-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(/N=c1/sccn1Cc1ccccc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C22H17N3O2S2/c26-20(24-22-25(12-14-29-22)15-16-5-2-1-3-6-16)17-8-10-18(11-9-17)23-21(27)19-7-4-13-28-19/h1-14H,15H2,(H,23,27)/b24-22+
InChIKeyDPMMRESSOBUDMU-ZNTNEXAZSA-N
XLogP4.65
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
N-[3-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide
CID 39964667
N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 47254879
3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 46137185
benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate
CID 27711279
N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide
CID 3231706
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
N-[4-[ethyl(phenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 2981018
N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide
CID 38272852

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide (CID 18292171) is N-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide is O=C(/N=c1/sccn1Cc1ccccc1)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is DPMMRESSOBUDMU-ZNTNEXAZSA-N. The full InChI is InChI=1S/C22H17N3O2S2/c26-20(24-22-25(12-14-29-22)15-16-5-2-1-3-6-16)17-8-10-18(11-9-17)23-21(27)19-7-4-13-28-19/h1-14H,15H2,(H,23,27)/b24-22+.
What are the key properties of N-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18292171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).