2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide

C16H26N4OS2 — CID 120643873

IUPAC2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCC2(N3CCSCC3)CCCC2)cs1
InChIInChI=1S/C16H26N4OS2/c17-6-3-14-19-13(11-23-14)15(21)18-12-16(4-1-2-5-16)20-7-9-22-10-8-20/h11H,1-10,12,17H2,(H,18,21)
InChIKeyYGWZYBFQBAREGY-UHFFFAOYSA-N
MW354.55 g/mol
LogP1.74
Rot. Bonds6

About 2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 120643873) has the molecular formula C16H26N4OS2 and a molecular weight of 354.55 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID120643873
Molecular FormulaC16H26N4OS2
Molecular Weight354.55 g/mol
Exact Mass354.15
IUPAC Name2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCC2(N3CCSCC3)CCCC2)cs1
InChIInChI=1S/C16H26N4OS2/c17-6-3-14-19-13(11-23-14)15(21)18-12-16(4-1-2-5-16)20-7-9-22-10-8-20/h11H,1-10,12,17H2,(H,18,21)
InChIKeyYGWZYBFQBAREGY-UHFFFAOYSA-N
XLogP1.74
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.55
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646616
2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride
CID 119903545
2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide
CID 120639023
2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120639022
2-(2-aminoethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638800
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-[(1-propoxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638669
2-(2-aminoethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 114143528
2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66373431
2-(2-aminoethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66388742
2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646720
2-(2-aminoethyl)-N-[3-(azepan-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 120629089

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide (CID 120643873) is 2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NCC2(N3CCSCC3)CCCC2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YGWZYBFQBAREGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS2/c17-6-3-14-19-13(11-23-14)15(21)18-12-16(4-1-2-5-16)20-7-9-22-10-8-20/h11H,1-10,12,17H2,(H,18,21).
What are the key properties of 2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 354.55 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120643873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).