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

C17H21N3OS — CID 2388197

IUPACN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C17H21N3OS/c1-12(2)16(21)19-17-18-14-8-9-20(11-15(14)22-17)10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,19,21)
InChIKeyAUUKDTHOIHMLGR-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.30
Rot. Bonds4

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

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide (PubChem CID 2388197) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide
PubChem CID2388197
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C17H21N3OS/c1-12(2)16(21)19-17-18-14-8-9-20(11-15(14)22-17)10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,19,21)
InChIKeyAUUKDTHOIHMLGR-UHFFFAOYSA-N
XLogP3.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride
CID 44827183
2-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpropanamide
CID 119828595
3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 119828628
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylpentanamide
CID 18291151
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 17453392
1-[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90530083
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-(6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)acetamide
CID 19985779
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide
CID 16547111
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methylpyrazine-2-carboxamide
CID 18074462

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide?
The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide (CID 2388197) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide is CC(C)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2.
What is the InChIKey of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide?
The InChIKey is AUUKDTHOIHMLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-12(2)16(21)19-17-18-14-8-9-20(11-15(14)22-17)10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,19,21).
What are the key properties of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide?
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide has a molecular weight of 315.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide is sourced from PubChem (CID 2388197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).