N-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide

C14H19BrN2OS — CID 119302976

IUPACN-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESCC(CCc1ccc(Br)cc1)NC(=O)C1CSCN1
InChIInChI=1S/C14H19BrN2OS/c1-10(17-14(18)13-8-19-9-16-13)2-3-11-4-6-12(15)7-5-11/h4-7,10,13,16H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyWGFQEIIREYXSKL-UHFFFAOYSA-N
MW343.29 g/mol
LogP2.55
Rot. Bonds5

About N-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide

N-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119302976) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide
PubChem CID119302976
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC NameN-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESCC(CCc1ccc(Br)cc1)NC(=O)C1CSCN1
InChIInChI=1S/C14H19BrN2OS/c1-10(17-14(18)13-8-19-9-16-13)2-3-11-4-6-12(15)7-5-11/h4-7,10,13,16H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyWGFQEIIREYXSKL-UHFFFAOYSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288084
N-(4-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 83177193
(2S,4S)-N-[4-(4-bromophenyl)butan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625464
N-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119269294
N-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119322831
N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 115734458
N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119325433
N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793540
N-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 54869067
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119295645
N-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 81291659

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide (CID 119302976) is N-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide is CC(CCc1ccc(Br)cc1)NC(=O)C1CSCN1.
What is the InChIKey of N-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is WGFQEIIREYXSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c1-10(17-14(18)13-8-19-9-16-13)2-3-11-4-6-12(15)7-5-11/h4-7,10,13,16H,2-3,8-9H2,1H3,(H,17,18).
What are the key properties of N-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide?
N-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 343.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119302976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).