N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride

C17H22ClN3OS2 — CID 44827048

IUPACN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride
SMILESCC(C)Sc1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1.Cl
InChIInChI=1S/C17H21N3OS2.ClH/c1-11(2)22-13-6-4-12(5-7-13)16(21)19-17-18-14-8-9-20(3)10-15(14)23-17;/h4-7,11H,8-10H2,1-3H3,(H,18,19,21);1H
InChIKeyZYTCWQCYLOLNSF-UHFFFAOYSA-N
MW383.97 g/mol
LogP4.31
Rot. Bonds4

About N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride (PubChem CID 44827048) has the molecular formula C17H22ClN3OS2 and a molecular weight of 383.97 g/mol. Its IUPAC name is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride
PubChem CID44827048
Molecular FormulaC17H22ClN3OS2
Molecular Weight383.97 g/mol
Exact Mass383.09
IUPAC NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride
SMILESCC(C)Sc1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1.Cl
InChIInChI=1S/C17H21N3OS2.ClH/c1-11(2)22-13-6-4-12(5-7-13)16(21)19-17-18-14-8-9-20(3)10-15(14)23-17;/h4-7,11H,8-10H2,1-3H3,(H,18,19,21);1H
InChIKeyZYTCWQCYLOLNSF-UHFFFAOYSA-N
XLogP4.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.97
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 8550347
4-cyano-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44826980
4-ethoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44827009
4-(dimethylsulfamoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44826978
4-(4-fluorophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 17457003
4-(diethylaminomethyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 55650727
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 29199692
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 32690794
3-bromo-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 27421670
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44975817
2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide
CID 110451736
4-(imidazol-1-ylmethyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 86991031

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride?
The IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride (CID 44827048) is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride.
What is the SMILES notation for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride?
The canonical SMILES for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride is CC(C)Sc1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1.Cl.
What is the InChIKey of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride?
The InChIKey is ZYTCWQCYLOLNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS2.ClH/c1-11(2)22-13-6-4-12(5-7-13)16(21)19-17-18-14-8-9-20(3)10-15(14)23-17;/h4-7,11H,8-10H2,1-3H3,(H,18,19,21);1H.
What are the key properties of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride?
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride has a molecular weight of 383.97 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide;hydrochloride is sourced from PubChem (CID 44827048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).