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

C27H21N3OS — CID 3475744

IUPACN-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide
SMILESCc1ccccc1Nc1nc(-c2cccc(NC(=O)c3cccc4ccccc34)c2)cs1
InChIInChI=1S/C27H21N3OS/c1-18-8-2-5-15-24(18)29-27-30-25(17-32-27)20-11-6-12-21(16-20)28-26(31)23-14-7-10-19-9-3-4-13-22(19)23/h2-17H,1H3,(H,28,31)(H,29,30)
InChIKeyNSCMULDQRVWKGE-UHFFFAOYSA-N
MW435.55 g/mol
LogP7.27
Rot. Bonds5

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

N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide (PubChem CID 3475744) has the molecular formula C27H21N3OS and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide
PubChem CID3475744
Molecular FormulaC27H21N3OS
Molecular Weight435.55 g/mol
Exact Mass435.14
IUPAC NameN-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide
SMILESCc1ccccc1Nc1nc(-c2cccc(NC(=O)c3cccc4ccccc34)c2)cs1
InChIInChI=1S/C27H21N3OS/c1-18-8-2-5-15-24(18)29-27-30-25(17-32-27)20-11-6-12-21(16-20)28-26(31)23-14-7-10-19-9-3-4-13-22(19)23/h2-17H,1H3,(H,28,31)(H,29,30)
InChIKeyNSCMULDQRVWKGE-UHFFFAOYSA-N
XLogP7.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 57.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3418788
N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide
CID 108770678
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide
CID 40691824
2-chloro-N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 5027218
N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5066416
N-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
CID 3654854
2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5012288
2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3950019
N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
CID 5135607
4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3877402
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide (CID 3475744) is N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide is Cc1ccccc1Nc1nc(-c2cccc(NC(=O)c3cccc4ccccc34)c2)cs1.
What is the InChIKey of N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide?
The InChIKey is NSCMULDQRVWKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3OS/c1-18-8-2-5-15-24(18)29-27-30-25(17-32-27)20-11-6-12-21(16-20)28-26(31)23-14-7-10-19-9-3-4-13-22(19)23/h2-17H,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide?
N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 7.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 3475744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).