N-(4-bromophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-methylacetamide

C17H16BrN3OS2 — CID 140665747

IUPACN-(4-bromophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCc1nc(C)c(-c2csc(CC(=O)N(C)c3ccc(Br)cc3)n2)s1
InChIInChI=1S/C17H16BrN3OS2/c1-10-17(24-11(2)19-10)14-9-23-15(20-14)8-16(22)21(3)13-6-4-12(18)5-7-13/h4-7,9H,8H2,1-3H3
InChIKeyUXWIWMGBJIDHDY-UHFFFAOYSA-N
MW422.37 g/mol
LogP4.85
Rot. Bonds4

About N-(4-bromophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-methylacetamide

N-(4-bromophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-methylacetamide (PubChem CID 140665747) has the molecular formula C17H16BrN3OS2 and a molecular weight of 422.37 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-methylacetamide
PubChem CID140665747
Molecular FormulaC17H16BrN3OS2
Molecular Weight422.37 g/mol
Exact Mass420.99
IUPAC NameN-(4-bromophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCc1nc(C)c(-c2csc(CC(=O)N(C)c3ccc(Br)cc3)n2)s1
InChIInChI=1S/C17H16BrN3OS2/c1-10-17(24-11(2)19-10)14-9-23-15(20-14)8-16(22)21(3)13-6-4-12(18)5-7-13/h4-7,9H,8H2,1-3H3
InChIKeyUXWIWMGBJIDHDY-UHFFFAOYSA-N
XLogP4.85
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenyl)-3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-one
CID 158753198
1-cyclopentyl-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]ethanone
CID 158982331
1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one
CID 158164479
1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-(2-isocyanophenyl)propan-2-one
CID 158982318
1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylsulfonylphenyl)propan-2-one
CID 159152454
N-(3-chlorophenyl)-4-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-N-methylbenzenesulfonamide
CID 147378197
methyl 6-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]pyridine-2-carboxylate
CID 160783527
3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-ethoxybenzamide
CID 157087851
5-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole
CID 140665742
2-bromo-N-(4-bromophenyl)-N-methylacetamide
CID 174990155
5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole
CID 158176861
2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole
CID 149358576

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-methylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-methylacetamide (CID 140665747) is N-(4-bromophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-methylacetamide is Cc1nc(C)c(-c2csc(CC(=O)N(C)c3ccc(Br)cc3)n2)s1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-methylacetamide?
The InChIKey is UXWIWMGBJIDHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3OS2/c1-10-17(24-11(2)19-10)14-9-23-15(20-14)8-16(22)21(3)13-6-4-12(18)5-7-13/h4-7,9H,8H2,1-3H3.
What are the key properties of N-(4-bromophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-methylacetamide?
N-(4-bromophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-methylacetamide has a molecular weight of 422.37 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 140665747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).