N-[2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-hydroxyethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C23H29N5O2S2 — CID 126662031

IUPACN-[2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-hydroxyethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESNCCC1CCCN(c2cc(CC(N)O)ccc2NC(=O)c2csc(-c3cccs3)n2)C1
InChIInChI=1S/C23H29N5O2S2/c24-8-7-15-3-1-9-28(13-15)19-11-16(12-21(25)29)5-6-17(19)26-22(30)18-14-32-23(27-18)20-4-2-10-31-20/h2,4-6,10-11,14-15,21,29H,1,3,7-9,12-13,24-25H2,(H,26,30)
InChIKeySDUNOEBNGYRWPC-UHFFFAOYSA-N
MW471.65 g/mol
LogP3.51
Rot. Bonds8

About N-[2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-hydroxyethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-hydroxyethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 126662031) has the molecular formula C23H29N5O2S2 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-[2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-hydroxyethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-hydroxyethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID126662031
Molecular FormulaC23H29N5O2S2
Molecular Weight471.65 g/mol
Exact Mass471.18
IUPAC NameN-[2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-hydroxyethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESNCCC1CCCN(c2cc(CC(N)O)ccc2NC(=O)c2csc(-c3cccs3)n2)C1
InChIInChI=1S/C23H29N5O2S2/c24-8-7-15-3-1-9-28(13-15)19-11-16(12-21(25)29)5-6-17(19)26-22(30)18-14-32-23(27-18)20-4-2-10-31-20/h2,4-6,10-11,14-15,21,29H,1,3,7-9,12-13,24-25H2,(H,26,30)
InChIKeySDUNOEBNGYRWPC-UHFFFAOYSA-N
XLogP3.51
TPSA117.50 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.65
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(aminomethyl)piperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098371
N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098465
N-[2-(3-hydroxypiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098059
2-thiophen-2-yl-N-[2-[(3S)-3-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 89272226
N-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098037
N-[2-(3-hydroxypyrrolidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 78007893
tert-butyl N-[2-[1-[4-nitro-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]phenyl]piperidin-3-yl]ethyl]carbamate
CID 68853196
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71142543
N-[2-[4-amino-4-(aminomethyl)piperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098117
N-[2-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 126661530
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 62357457
N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71142462

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-hydroxyethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-hydroxyethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 126662031) is N-[2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-hydroxyethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-hydroxyethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-hydroxyethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is NCCC1CCCN(c2cc(CC(N)O)ccc2NC(=O)c2csc(-c3cccs3)n2)C1.
What is the InChIKey of N-[2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-hydroxyethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is SDUNOEBNGYRWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S2/c24-8-7-15-3-1-9-28(13-15)19-11-16(12-21(25)29)5-6-17(19)26-22(30)18-14-32-23(27-18)20-4-2-10-31-20/h2,4-6,10-11,14-15,21,29H,1,3,7-9,12-13,24-25H2,(H,26,30).
What are the key properties of N-[2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-hydroxyethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-hydroxyethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 471.65 g/mol, XLogP of 3.51, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-hydroxyethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126662031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).