2-(2-aminoethyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide

C15H18N4O3S2 — CID 120622504

IUPAC2-(2-aminoethyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cs1
InChIInChI=1S/C15H18N4O3S2/c16-6-5-14-18-13(10-23-14)15(20)17-11-3-1-4-12(9-11)19-7-2-8-24(19,21)22/h1,3-4,9-10H,2,5-8,16H2,(H,17,20)
InChIKeyRSCCIPGCKOIFST-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.44
Rot. Bonds5

About 2-(2-aminoethyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 120622504) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID120622504
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC Name2-(2-aminoethyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cs1
InChIInChI=1S/C15H18N4O3S2/c16-6-5-14-18-13(10-23-14)15(20)17-11-3-1-4-12(9-11)19-7-2-8-24(19,21)22/h1,3-4,9-10H,2,5-8,16H2,(H,17,20)
InChIKeyRSCCIPGCKOIFST-UHFFFAOYSA-N
XLogP1.44
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-aminoethyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(2-aminoethyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide;trihydrochloride
CID 120647909
4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 22690097
ethyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]benzoate;hydrochloride
CID 120618634
2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide
CID 120646629
(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
CID 119289907
2-(2-aminoethyl)-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120624899
2-(2-aminoethyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617267
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110312981
2-(2-aminoethyl)-N-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621017
2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638651
2-(2-aminoethyl)-N-[3-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622391
4-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-fluorobenzoic acid
CID 107795142

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 120622504) is 2-(2-aminoethyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is RSCCIPGCKOIFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c16-6-5-14-18-13(10-23-14)15(20)17-11-3-1-4-12(9-11)19-7-2-8-24(19,21)22/h1,3-4,9-10H,2,5-8,16H2,(H,17,20).
What are the key properties of 2-(2-aminoethyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120622504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).