N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide

C21H18N2OS2 — CID 18284447

IUPACN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3cccc4ccccc34)s2)cs1
InChIInChI=1S/C21H18N2OS2/c1-14-23-19(13-25-14)20-10-9-16(26-20)11-12-22-21(24)18-8-4-6-15-5-2-3-7-17(15)18/h2-10,13H,11-12H2,1H3,(H,22,24)
InChIKeyVRANJSWWUSWZED-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.31
Rot. Bonds5

About N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide

N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide (PubChem CID 18284447) has the molecular formula C21H18N2OS2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide
PubChem CID18284447
Molecular FormulaC21H18N2OS2
Molecular Weight378.52 g/mol
Exact Mass378.09
IUPAC NameN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3cccc4ccccc34)s2)cs1
InChIInChI=1S/C21H18N2OS2/c1-14-23-19(13-25-14)20-10-9-16(26-20)11-12-22-21(24)18-8-4-6-15-5-2-3-7-17(15)18/h2-10,13H,11-12H2,1H3,(H,22,24)
InChIKeyVRANJSWWUSWZED-UHFFFAOYSA-N
XLogP5.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42575034
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42575300
3,5-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 27294304
3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 119275087
2-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 47014812
2-chloro-5-methylsulfanyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 24533247
2-hydroxy-4-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 42574858
2-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119275088
2-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 119696595
3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 31685116
3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 33212111
2-(2-methylphenoxy)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 24533248

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide (CID 18284447) is N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide is Cc1nc(-c2ccc(CCNC(=O)c3cccc4ccccc34)s2)cs1.
What is the InChIKey of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide?
The InChIKey is VRANJSWWUSWZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS2/c1-14-23-19(13-25-14)20-10-9-16(26-20)11-12-22-21(24)18-8-4-6-15-5-2-3-7-17(15)18/h2-10,13H,11-12H2,1H3,(H,22,24).
What are the key properties of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide?
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 18284447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).