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

C19H24BrN3OS — CID 108726788

IUPAC2-(4-bromophenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(NC(=O)Cc2ccc(Br)cc2)sc1CN1CCC(C)CC1
InChIInChI=1S/C19H24BrN3OS/c1-13-7-9-23(10-8-13)12-17-14(2)21-19(25-17)22-18(24)11-15-3-5-16(20)6-4-15/h3-6,13H,7-12H2,1-2H3,(H,21,22,24)
InChIKeyCMVALAYJYSRIEZ-UHFFFAOYSA-N
MW422.39 g/mol
LogP4.63
Rot. Bonds5

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

2-(4-bromophenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 108726788) has the molecular formula C19H24BrN3OS and a molecular weight of 422.39 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID108726788
Molecular FormulaC19H24BrN3OS
Molecular Weight422.39 g/mol
Exact Mass421.08
IUPAC Name2-(4-bromophenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(NC(=O)Cc2ccc(Br)cc2)sc1CN1CCC(C)CC1
InChIInChI=1S/C19H24BrN3OS/c1-13-7-9-23(10-8-13)12-17-14(2)21-19(25-17)22-18(24)11-15-3-5-16(20)6-4-15/h3-6,13H,7-12H2,1-2H3,(H,21,22,24)
InChIKeyCMVALAYJYSRIEZ-UHFFFAOYSA-N
XLogP4.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 108726673
N-(4-fluorophenyl)-N'-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanediamide
CID 108750827
4-(4-ethylphenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 108750889
2,2-dimethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 108726727
2-(5-methyl-1,2-benzoxazol-3-yl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108726790
2-(1-adamantyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108750801
2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 108726679
4-(4-chlorophenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 108750890
(E)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 108750838
(2E,4E)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]hexa-2,4-dienamide
CID 108726683
3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108750792
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 108726775

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 108726788) is 2-(4-bromophenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is Cc1nc(NC(=O)Cc2ccc(Br)cc2)sc1CN1CCC(C)CC1.
What is the InChIKey of 2-(4-bromophenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CMVALAYJYSRIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3OS/c1-13-7-9-23(10-8-13)12-17-14(2)21-19(25-17)22-18(24)11-15-3-5-16(20)6-4-15/h3-6,13H,7-12H2,1-2H3,(H,21,22,24).
What are the key properties of 2-(4-bromophenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
2-(4-bromophenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 422.39 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 108726788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).