2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide

C18H10Cl2N2OS2 — CID 4670765

IUPAC2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cc(Cl)sc1Cl
InChIInChI=1S/C18H10Cl2N2OS2/c19-15-8-13(16(20)25-15)17(23)22-18-21-14(9-24-18)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,21,22,23)
InChIKeyCEKYLHXRAXQRIU-UHFFFAOYSA-N
MW405.33 g/mol
LogP6.58
Rot. Bonds3

About 2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide

2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide (PubChem CID 4670765) has the molecular formula C18H10Cl2N2OS2 and a molecular weight of 405.33 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide
PubChem CID4670765
Molecular FormulaC18H10Cl2N2OS2
Molecular Weight405.33 g/mol
Exact Mass403.96
IUPAC Name2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cc(Cl)sc1Cl
InChIInChI=1S/C18H10Cl2N2OS2/c19-15-8-13(16(20)25-15)17(23)22-18-21-14(9-24-18)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,21,22,23)
InChIKeyCEKYLHXRAXQRIU-UHFFFAOYSA-N
XLogP6.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.33
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615
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)naphthalene-2-carboxamide
CID 7917223
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
5-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 16549476
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 4146879
2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 18576995
2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 18291417
2-(4-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786296
6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 21235330

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide (CID 4670765) is 2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide is O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide?
The InChIKey is CEKYLHXRAXQRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N2OS2/c19-15-8-13(16(20)25-15)17(23)22-18-21-14(9-24-18)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,21,22,23).
What are the key properties of 2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide?
2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide has a molecular weight of 405.33 g/mol, XLogP of 6.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 4670765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).