N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide

C20H19BrN2OS2 — CID 16527843

IUPACN-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(N(C(C)=O)c2nc(CSc3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C20H19BrN2OS2/c1-3-15-4-8-18(9-5-15)23(14(2)24)20-22-17(13-26-20)12-25-19-10-6-16(21)7-11-19/h4-11,13H,3,12H2,1-2H3
InChIKeyJKOUAEDXBDAPBI-UHFFFAOYSA-N
MW447.42 g/mol
LogP6.44
Rot. Bonds6

About N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide

N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 16527843) has the molecular formula C20H19BrN2OS2 and a molecular weight of 447.42 g/mol. Its IUPAC name is N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
PubChem CID16527843
Molecular FormulaC20H19BrN2OS2
Molecular Weight447.42 g/mol
Exact Mass446.01
IUPAC NameN-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(N(C(C)=O)c2nc(CSc3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C20H19BrN2OS2/c1-3-15-4-8-18(9-5-15)23(14(2)24)20-22-17(13-26-20)12-25-19-10-6-16(21)7-11-19/h4-11,13H,3,12H2,1-2H3
InChIKeyJKOUAEDXBDAPBI-UHFFFAOYSA-N
XLogP6.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.42
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide (CID 16527843) is N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(N(C(C)=O)c2nc(CSc3ccc(Br)cc3)cs2)cc1.
What is the InChIKey of N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is JKOUAEDXBDAPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2OS2/c1-3-15-4-8-18(9-5-15)23(14(2)24)20-22-17(13-26-20)12-25-19-10-6-16(21)7-11-19/h4-11,13H,3,12H2,1-2H3.
What are the key properties of N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 447.42 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 16527843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).