3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide

C17H22N4OS — CID 119828628

IUPAC3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
SMILESCC(N)CC(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C17H22N4OS/c1-12(18)9-16(22)20-17-19-14-7-8-21(11-15(14)23-17)10-13-5-3-2-4-6-13/h2-6,12H,7-11,18H2,1H3,(H,19,20,22)
InChIKeyBSPNYLFUEGKESJ-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.38
Rot. Bonds5

About 3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide

3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide (PubChem CID 119828628) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide.

Molecular Properties

Compound Name3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
PubChem CID119828628
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
SMILESCC(N)CC(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C17H22N4OS/c1-12(18)9-16(22)20-17-19-14-7-8-21(11-15(14)23-17)10-13-5-3-2-4-6-13/h2-6,12H,7-11,18H2,1H3,(H,19,20,22)
InChIKeyBSPNYLFUEGKESJ-UHFFFAOYSA-N
XLogP2.38
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide
CID 2388197
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride
CID 44827183
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 17453392
2-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpropanamide
CID 119828595
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 112794431
(3S)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylbutanamide
CID 29412489
N-[2-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 17437177
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8850262
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylpentanamide
CID 18291151
5-benzyl-N-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 62942181
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2641092
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-propoxyphenoxy)acetamide
CID 4822529

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide?
The IUPAC name of 3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide (CID 119828628) is 3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide.
What is the SMILES notation for 3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide?
The canonical SMILES for 3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide is CC(N)CC(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide?
The InChIKey is BSPNYLFUEGKESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12(18)9-16(22)20-17-19-14-7-8-21(11-15(14)23-17)10-13-5-3-2-4-6-13/h2-6,12H,7-11,18H2,1H3,(H,19,20,22).
What are the key properties of 3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide?
3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide has a molecular weight of 330.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide is sourced from PubChem (CID 119828628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).