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

C21H17N3OS — CID 42764148

IUPACN-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide
SMILESCNc1nc(-c2cccc(NC(=O)c3ccc4ccccc4c3)c2)cs1
InChIInChI=1S/C21H17N3OS/c1-22-21-24-19(13-26-21)16-7-4-8-18(12-16)23-20(25)17-10-9-14-5-2-3-6-15(14)11-17/h2-13H,1H3,(H,22,24)(H,23,25)
InChIKeyGFHFFKQWWWIUSZ-UHFFFAOYSA-N
MW359.45 g/mol
LogP5.26
Rot. Bonds4

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

N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide (PubChem CID 42764148) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide
PubChem CID42764148
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC NameN-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide
SMILESCNc1nc(-c2cccc(NC(=O)c3ccc4ccccc4c3)c2)cs1
InChIInChI=1S/C21H17N3OS/c1-22-21-24-19(13-26-21)16-7-4-8-18(12-16)23-20(25)17-10-9-14-5-2-3-6-15(14)11-17/h2-13H,1H3,(H,22,24)(H,23,25)
InChIKeyGFHFFKQWWWIUSZ-UHFFFAOYSA-N
XLogP5.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 42764139
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4277786
N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 42764774
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
N-[3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564819
N-[3-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18900813
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide
CID 5151529
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4111369

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide (CID 42764148) is N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide is CNc1nc(-c2cccc(NC(=O)c3ccc4ccccc4c3)c2)cs1.
What is the InChIKey of N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide?
The InChIKey is GFHFFKQWWWIUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-22-21-24-19(13-26-21)16-7-4-8-18(12-16)23-20(25)17-10-9-14-5-2-3-6-15(14)11-17/h2-13H,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide?
N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 42764148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).