N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide

C19H22BrN3O2S2 — CID 40856252

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide
SMILESC[C@H]1CCCCN1C(=O)CSCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C19H22BrN3O2S2/c1-13-4-2-3-9-23(13)18(25)12-26-11-17(24)22-19-21-16(10-27-19)14-5-7-15(20)8-6-14/h5-8,10,13H,2-4,9,11-12H2,1H3,(H,21,22,24)/t13-/m0/s1
InChIKeyCFCCAXSUMJJXEC-ZDUSSCGKSA-N
MW468.44 g/mol
LogP4.65
Rot. Bonds6

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide (PubChem CID 40856252) has the molecular formula C19H22BrN3O2S2 and a molecular weight of 468.44 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide
PubChem CID40856252
Molecular FormulaC19H22BrN3O2S2
Molecular Weight468.44 g/mol
Exact Mass467.03
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide
SMILESC[C@H]1CCCCN1C(=O)CSCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C19H22BrN3O2S2/c1-13-4-2-3-9-23(13)18(25)12-26-11-17(24)22-19-21-16(10-27-19)14-5-7-15(20)8-6-14/h5-8,10,13H,2-4,9,11-12H2,1H3,(H,21,22,24)/t13-/m0/s1
InChIKeyCFCCAXSUMJJXEC-ZDUSSCGKSA-N
XLogP4.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3685808
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 4644165
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 4190693
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide
CID 4051688
2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 41059378
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1225742
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
2-(2,6-dimethylpiperidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22197873
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55565869
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 5223813
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19726719
N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide
CID 118362933

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide (CID 40856252) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide is C[C@H]1CCCCN1C(=O)CSCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide?
The InChIKey is CFCCAXSUMJJXEC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22BrN3O2S2/c1-13-4-2-3-9-23(13)18(25)12-26-11-17(24)22-19-21-16(10-27-19)14-5-7-15(20)8-6-14/h5-8,10,13H,2-4,9,11-12H2,1H3,(H,21,22,24)/t13-/m0/s1.
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide has a molecular weight of 468.44 g/mol, XLogP of 4.65, 6 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]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 40856252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).