2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide

C18H17BrN2OS2 — CID 24533251

IUPAC2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
SMILESCc1nc(-c2ccc(CCNC(=O)Cc3ccc(Br)cc3)s2)cs1
InChIInChI=1S/C18H17BrN2OS2/c1-12-21-16(11-23-12)17-7-6-15(24-17)8-9-20-18(22)10-13-2-4-14(19)5-3-13/h2-7,11H,8-10H2,1H3,(H,20,22)
InChIKeyNSVDDEJSEWVNIY-UHFFFAOYSA-N
MW421.39 g/mol
LogP4.84
Rot. Bonds6

About 2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide

2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide (PubChem CID 24533251) has the molecular formula C18H17BrN2OS2 and a molecular weight of 421.39 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
PubChem CID24533251
Molecular FormulaC18H17BrN2OS2
Molecular Weight421.39 g/mol
Exact Mass420.00
IUPAC Name2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
SMILESCc1nc(-c2ccc(CCNC(=O)Cc3ccc(Br)cc3)s2)cs1
InChIInChI=1S/C18H17BrN2OS2/c1-12-21-16(11-23-12)17-7-6-15(24-17)8-9-20-18(22)10-13-2-4-14(19)5-3-13/h2-7,11H,8-10H2,1H3,(H,20,22)
InChIKeyNSVDDEJSEWVNIY-UHFFFAOYSA-N
XLogP4.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 47014812
2-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119275088
2-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 119696595
3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 119275087
4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide
CID 42575172
3,5-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 27294304
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 31685380
3-[4-(methylsulfamoyl)phenyl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 42575070
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-thiophen-2-ylpropanamide
CID 24552699
3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 31685116
2-(2-methylphenoxy)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 24533248
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide
CID 42575022

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide (CID 24533251) is 2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide is Cc1nc(-c2ccc(CCNC(=O)Cc3ccc(Br)cc3)s2)cs1.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide?
The InChIKey is NSVDDEJSEWVNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2OS2/c1-12-21-16(11-23-12)17-7-6-15(24-17)8-9-20-18(22)10-13-2-4-14(19)5-3-13/h2-7,11H,8-10H2,1H3,(H,20,22).
What are the key properties of 2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide?
2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide has a molecular weight of 421.39 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 24533251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).