2-(4-bromothiophen-2-yl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide

C15H18BrN3O2S2 — CID 55959611

IUPAC2-(4-bromothiophen-2-yl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1csc(-c2cc(Br)cs2)n1
InChIInChI=1S/C15H18BrN3O2S2/c1-8(2)4-10(13(20)17-3)18-14(21)11-7-23-15(19-11)12-5-9(16)6-22-12/h5-8,10H,4H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyBZXWDVDQMFFEKQ-UHFFFAOYSA-N
MW416.37 g/mol
LogP3.52
Rot. Bonds6

About 2-(4-bromothiophen-2-yl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide

2-(4-bromothiophen-2-yl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 55959611) has the molecular formula C15H18BrN3O2S2 and a molecular weight of 416.37 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID55959611
Molecular FormulaC15H18BrN3O2S2
Molecular Weight416.37 g/mol
Exact Mass415.00
IUPAC Name2-(4-bromothiophen-2-yl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1csc(-c2cc(Br)cs2)n1
InChIInChI=1S/C15H18BrN3O2S2/c1-8(2)4-10(13(20)17-3)18-14(21)11-7-23-15(19-11)12-5-9(16)6-22-12/h5-8,10H,4H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyBZXWDVDQMFFEKQ-UHFFFAOYSA-N
XLogP3.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromothiophen-2-yl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 92928991
methyl (2R)-2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoate
CID 52687885
N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 51122885
2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 52714960
ethyl N-[[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 47336082
2-[[2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 119224084
(2S)-4-methyl-2-[[2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695454
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 119574434
(2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119363475
2-(4-chlorophenyl)-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide
CID 58505492
4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199945
2-(4-bromothiophen-2-yl)-N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 60549928

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide (CID 55959611) is 2-(4-bromothiophen-2-yl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide is CNC(=O)C(CC(C)C)NC(=O)c1csc(-c2cc(Br)cs2)n1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is BZXWDVDQMFFEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2S2/c1-8(2)4-10(13(20)17-3)18-14(21)11-7-23-15(19-11)12-5-9(16)6-22-12/h5-8,10H,4H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 2-(4-bromothiophen-2-yl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide?
2-(4-bromothiophen-2-yl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 416.37 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55959611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).