N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2-(2-methylphenyl)iminochromene-3-carboxamide

C26H17BrClN3O2S — CID 45146514

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2-(2-methylphenyl)iminochromene-3-carboxamide
SMILESCc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C26H17BrClN3O2S/c1-15-4-2-3-5-21(15)29-25-20(13-17-12-19(28)10-11-23(17)33-25)24(32)31-26-30-22(14-34-26)16-6-8-18(27)9-7-16/h2-14H,1H3,(H,30,31,32)/b29-25-
InChIKeyAPWTVNJMJIOUSG-GNVQSUKOSA-N
MW550.87 g/mol
LogP7.77
Rot. Bonds4

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2-(2-methylphenyl)iminochromene-3-carboxamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2-(2-methylphenyl)iminochromene-3-carboxamide (PubChem CID 45146514) has the molecular formula C26H17BrClN3O2S and a molecular weight of 550.87 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2-(2-methylphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2-(2-methylphenyl)iminochromene-3-carboxamide
PubChem CID45146514
Molecular FormulaC26H17BrClN3O2S
Molecular Weight550.87 g/mol
Exact Mass548.99
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2-(2-methylphenyl)iminochromene-3-carboxamide
SMILESCc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C26H17BrClN3O2S/c1-15-4-2-3-5-21(15)29-25-20(13-17-12-19(28)10-11-23(17)33-25)24(32)31-26-30-22(14-34-26)16-6-8-18(27)9-7-16/h2-14H,1H3,(H,30,31,32)/b29-25-
InChIKeyAPWTVNJMJIOUSG-GNVQSUKOSA-N
XLogP7.77
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.87
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367465
6-bromo-2-(2-chlorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 4049008
N-(4-chlorophenyl)-2-(2-methylphenyl)iminochromene-3-carboxamide
CID 51370435
5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19225419
6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367429
2-(5-chloro-2-methylphenyl)imino-N-phenylchromene-3-carboxamide
CID 53334867
2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 3401823
methyl 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 108798618
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 31948630
2-(2-chlorophenyl)imino-N-(2-methylphenyl)chromene-3-carboxamide
CID 51367890
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 3303332
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2-(2-methylphenyl)iminochromene-3-carboxamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2-(2-methylphenyl)iminochromene-3-carboxamide (CID 45146514) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2-(2-methylphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2-(2-methylphenyl)iminochromene-3-carboxamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2-(2-methylphenyl)iminochromene-3-carboxamide is Cc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2-(2-methylphenyl)iminochromene-3-carboxamide?
The InChIKey is APWTVNJMJIOUSG-GNVQSUKOSA-N. The full InChI is InChI=1S/C26H17BrClN3O2S/c1-15-4-2-3-5-21(15)29-25-20(13-17-12-19(28)10-11-23(17)33-25)24(32)31-26-30-22(14-34-26)16-6-8-18(27)9-7-16/h2-14H,1H3,(H,30,31,32)/b29-25-.
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2-(2-methylphenyl)iminochromene-3-carboxamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2-(2-methylphenyl)iminochromene-3-carboxamide has a molecular weight of 550.87 g/mol, XLogP of 7.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2-(2-methylphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 45146514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).