2-(1-aminoethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide

C15H17N3O2S — CID 107222289

IUPAC2-(1-aminoethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cs1
InChIInChI=1S/C15H17N3O2S/c1-8(16)15-17-11(7-21-15)14(20)18-13-10-5-3-2-4-9(10)6-12(13)19/h2-5,7-8,12-13,19H,6,16H2,1H3,(H,18,20)/t8?,12-,13+/m0/s1
InChIKeyJKFYGMZLZSKEOO-LFOGUXLASA-N
MW303.39 g/mol
LogP1.55
Rot. Bonds3

About 2-(1-aminoethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 107222289) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID107222289
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-(1-aminoethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cs1
InChIInChI=1S/C15H17N3O2S/c1-8(16)15-17-11(7-21-15)14(20)18-13-10-5-3-2-4-9(10)6-12(13)19/h2-5,7-8,12-13,19H,6,16H2,1H3,(H,18,20)/t8?,12-,13+/m0/s1
InChIKeyJKFYGMZLZSKEOO-LFOGUXLASA-N
XLogP1.55
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide
CID 107221881
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide
CID 65216329
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 66389960
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-(1-aminoethyl)-N-(2-oxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 3855660
6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 103816930
2-(1-aminoethyl)-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 66388213
2-(1-aminoethyl)-N-[2-(1-hydroxyethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66388563
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-3-carboxamide
CID 103862965
6-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide
CID 106551559
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103860624

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide (CID 107222289) is 2-(1-aminoethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is JKFYGMZLZSKEOO-LFOGUXLASA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-8(16)15-17-11(7-21-15)14(20)18-13-10-5-3-2-4-9(10)6-12(13)19/h2-5,7-8,12-13,19H,6,16H2,1H3,(H,18,20)/t8?,12-,13+/m0/s1.
What are the key properties of 2-(1-aminoethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 107222289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).