5-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide

C20H12BrClN2OS — CID 4008258

IUPAC5-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc2c(Br)cccc12
InChIInChI=1S/C20H12BrClN2OS/c21-17-6-2-3-14-15(17)4-1-5-16(14)19(25)24-20-23-18(11-26-20)12-7-9-13(22)10-8-12/h1-11H,(H,23,24,25)
InChIKeyKSYSKDBOWCEYMR-UHFFFAOYSA-N
MW443.75 g/mol
LogP6.63
Rot. Bonds3

About 5-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide

5-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide (PubChem CID 4008258) has the molecular formula C20H12BrClN2OS and a molecular weight of 443.75 g/mol. Its IUPAC name is 5-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
PubChem CID4008258
Molecular FormulaC20H12BrClN2OS
Molecular Weight443.75 g/mol
Exact Mass441.95
IUPAC Name5-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc2c(Br)cccc12
InChIInChI=1S/C20H12BrClN2OS/c21-17-6-2-3-14-15(17)4-1-5-16(14)19(25)24-20-23-18(11-26-20)12-7-9-13(22)10-8-12/h1-11H,(H,23,24,25)
InChIKeyKSYSKDBOWCEYMR-UHFFFAOYSA-N
XLogP6.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.75
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 23854360
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 31948630
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 55341280
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822
N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5066416
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194977
2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 3401823
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide
CID 23822903
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 47072656
2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1186581

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
The IUPAC name of 5-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide (CID 4008258) is 5-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide is O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc2c(Br)cccc12.
What is the InChIKey of 5-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
The InChIKey is KSYSKDBOWCEYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrClN2OS/c21-17-6-2-3-14-15(17)4-1-5-16(14)19(25)24-20-23-18(11-26-20)12-7-9-13(22)10-8-12/h1-11H,(H,23,24,25).
What are the key properties of 5-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
5-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide has a molecular weight of 443.75 g/mol, XLogP of 6.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 4008258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).