N-(2-bromophenyl)-1,3-thiazolidine-3-carboxamide

C10H11BrN2OS — CID 3744808

IUPACN-(2-bromophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)N1CCSC1
InChIInChI=1S/C10H11BrN2OS/c11-8-3-1-2-4-9(8)12-10(14)13-5-6-15-7-13/h1-4H,5-7H2,(H,12,14)
InChIKeyKLHZZMNFJRYHFC-UHFFFAOYSA-N
MW287.18 g/mol
LogP2.99
Rot. Bonds1

About N-(2-bromophenyl)-1,3-thiazolidine-3-carboxamide

N-(2-bromophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 3744808) has the molecular formula C10H11BrN2OS and a molecular weight of 287.18 g/mol. Its IUPAC name is N-(2-bromophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID3744808
Molecular FormulaC10H11BrN2OS
Molecular Weight287.18 g/mol
Exact Mass285.98
IUPAC NameN-(2-bromophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)N1CCSC1
InChIInChI=1S/C10H11BrN2OS/c11-8-3-1-2-4-9(8)12-10(14)13-5-6-15-7-13/h1-4H,5-7H2,(H,12,14)
InChIKeyKLHZZMNFJRYHFC-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide
CID 47191929
1-[(2-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318513
N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103489
2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608695
N-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide
CID 17217969
(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
CID 51944008
(3S,4S)-1-[(2-bromophenyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122073426
N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 17217595
N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122331982
N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 86986351
3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 55237654
(2-bromophenyl)carbamic acid
CID 15021878

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1,3-thiazolidine-3-carboxamide (CID 3744808) is N-(2-bromophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1,3-thiazolidine-3-carboxamide is O=C(Nc1ccccc1Br)N1CCSC1.
What is the InChIKey of N-(2-bromophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is KLHZZMNFJRYHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2OS/c11-8-3-1-2-4-9(8)12-10(14)13-5-6-15-7-13/h1-4H,5-7H2,(H,12,14).
What are the key properties of N-(2-bromophenyl)-1,3-thiazolidine-3-carboxamide?
N-(2-bromophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 287.18 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 3744808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).