N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide

C27H20N2OS — CID 108761369

IUPACN-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCc1cccc(-c2nc(-c3ccccc3)cs2)c1)c1cccc2ccccc12
InChIInChI=1S/C27H20N2OS/c30-26(24-15-7-12-20-9-4-5-14-23(20)24)28-17-19-8-6-13-22(16-19)27-29-25(18-31-27)21-10-2-1-3-11-21/h1-16,18H,17H2,(H,28,30)
InChIKeyDFSDVNZRYVAECZ-UHFFFAOYSA-N
MW420.54 g/mol
LogP6.56
Rot. Bonds5

About N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide

N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide (PubChem CID 108761369) has the molecular formula C27H20N2OS and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide
PubChem CID108761369
Molecular FormulaC27H20N2OS
Molecular Weight420.54 g/mol
Exact Mass420.13
IUPAC NameN-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCc1cccc(-c2nc(-c3ccccc3)cs2)c1)c1cccc2ccccc12
InChIInChI=1S/C27H20N2OS/c30-26(24-15-7-12-20-9-4-5-14-23(20)24)28-17-19-8-6-13-22(16-19)27-29-25(18-31-27)21-10-2-1-3-11-21/h1-16,18H,17H2,(H,28,30)
InChIKeyDFSDVNZRYVAECZ-UHFFFAOYSA-N
XLogP6.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.54
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 54774064
5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 108738561
5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 108761306
2-(2-methoxyethoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108738527
2,3,6-trichloro-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108738492
4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
CID 108738568
2-cyclohexyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108761273
3-methyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 54773936
4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 108738582
4-nitro-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774026
ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108738545
5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 108738573

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide (CID 108761369) is N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide is O=C(NCc1cccc(-c2nc(-c3ccccc3)cs2)c1)c1cccc2ccccc12.
What is the InChIKey of N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide?
The InChIKey is DFSDVNZRYVAECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2OS/c30-26(24-15-7-12-20-9-4-5-14-23(20)24)28-17-19-8-6-13-22(16-19)27-29-25(18-31-27)21-10-2-1-3-11-21/h1-16,18H,17H2,(H,28,30).
What are the key properties of N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide?
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 108761369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).