2-amino-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride

C17H22ClN3OS2 — CID 119269970

IUPAC2-amino-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCCC(N)C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1.Cl
InChIInChI=1S/C17H21N3OS2.ClH/c1-22-8-7-14(18)16(21)20-17-19-15(10-23-17)13-6-5-11-3-2-4-12(11)9-13;/h5-6,9-10,14H,2-4,7-8,18H2,1H3,(H,19,20,21);1H
InChIKeyKXPRPCWKABTRNY-UHFFFAOYSA-N
MW383.97 g/mol
LogP3.74
Rot. Bonds6

About 2-amino-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride

2-amino-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 119269970) has the molecular formula C17H22ClN3OS2 and a molecular weight of 383.97 g/mol. Its IUPAC name is 2-amino-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride
PubChem CID119269970
Molecular FormulaC17H22ClN3OS2
Molecular Weight383.97 g/mol
Exact Mass383.09
IUPAC Name2-amino-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCCC(N)C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1.Cl
InChIInChI=1S/C17H21N3OS2.ClH/c1-22-8-7-14(18)16(21)20-17-19-15(10-23-17)13-6-5-11-3-2-4-12(11)9-13;/h5-6,9-10,14H,2-4,7-8,18H2,1H3,(H,19,20,21);1H
InChIKeyKXPRPCWKABTRNY-UHFFFAOYSA-N
XLogP3.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.97
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-(2,3-dihydro-1H-inden-5-yl)-4-methylsulfanylbutanamide
CID 104906781
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 4142849
(2S)-2-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 95306112
(2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 104906853
(2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride
CID 119283859
2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119264633
(2S)-2-amino-4-methylsulfanyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 119270939
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 43077781
(2S)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide
CID 54960202
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide
CID 119687104
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)acetamide
CID 35804890
N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide
CID 4555376

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride (CID 119269970) is 2-amino-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride is CSCCC(N)C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1.Cl.
What is the InChIKey of 2-amino-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is KXPRPCWKABTRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS2.ClH/c1-22-8-7-14(18)16(21)20-17-19-15(10-23-17)13-6-5-11-3-2-4-12(11)9-13;/h5-6,9-10,14H,2-4,7-8,18H2,1H3,(H,19,20,21);1H.
What are the key properties of 2-amino-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride?
2-amino-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 383.97 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 119269970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).