N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide

C19H15N3OS — CID 86920236

IUPACN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1
InChIInChI=1S/C19H15N3OS/c1-13-3-2-4-16(9-13)18(23)22-19-21-12-17(24-19)10-14-5-7-15(11-20)8-6-14/h2-9,12H,10H2,1H3,(H,21,22,23)
InChIKeyDSPJDDMSKAAKCQ-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.17
Rot. Bonds4

About N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide

N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide (PubChem CID 86920236) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
PubChem CID86920236
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC NameN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1
InChIInChI=1S/C19H15N3OS/c1-13-3-2-4-16(9-13)18(23)22-19-21-12-17(24-19)10-14-5-7-15(11-20)8-6-14/h2-9,12H,10H2,1H3,(H,21,22,23)
InChIKeyDSPJDDMSKAAKCQ-UHFFFAOYSA-N
XLogP4.17
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
CID 86920266
N-[3-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 78894993
N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide
CID 90603545
N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide
CID 52648387
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-4-[ethyl(methyl)amino]benzamide
CID 86850729
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide
CID 78886727
N-[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 26011622
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 44544991
4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 2130333
N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 37035111
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 78886729
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 86920255

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide?
The IUPAC name of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide (CID 86920236) is N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1.
What is the InChIKey of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide?
The InChIKey is DSPJDDMSKAAKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-13-3-2-4-16(9-13)18(23)22-19-21-12-17(24-19)10-14-5-7-15(11-20)8-6-14/h2-9,12H,10H2,1H3,(H,21,22,23).
What are the key properties of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide?
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide has a molecular weight of 333.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide is sourced from PubChem (CID 86920236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).