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

C19H20ClN5OS — CID 55485948

IUPACN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C19H20ClN5OS/c1-12-16(17(20)24(2)23-12)18(26)22-19-21-14-8-9-25(11-15(14)27-19)10-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,21,22,26)
InChIKeyJGWFAYMTCDFVLU-UHFFFAOYSA-N
MW401.92 g/mol
LogP3.65
Rot. Bonds4

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

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 55485948) has the molecular formula C19H20ClN5OS and a molecular weight of 401.92 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
PubChem CID55485948
Molecular FormulaC19H20ClN5OS
Molecular Weight401.92 g/mol
Exact Mass401.11
IUPAC NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C19H20ClN5OS/c1-12-16(17(20)24(2)23-12)18(26)22-19-21-14-8-9-25(11-15(14)27-19)10-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,21,22,26)
InChIKeyJGWFAYMTCDFVLU-UHFFFAOYSA-N
XLogP3.65
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methylpyrazine-2-carboxamide
CID 18074462
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,4-dimethylbenzamide
CID 42153991
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)-2,5-dichlorobenzamide
CID 16547111
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)furan-3-carboxamide
CID 17455381
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24627093
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 17453392
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide
CID 16547092
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)-3,4,5-trimethoxybenzamide
CID 2382313
3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 119828628

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)-5-chloro-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide (CID 55485948) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(Cl)c1C(=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)-5-chloro-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is JGWFAYMTCDFVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5OS/c1-12-16(17(20)24(2)23-12)18(26)22-19-21-14-8-9-25(11-15(14)27-19)10-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,21,22,26).
What are the key properties of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide?
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 401.92 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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)-5-chloro-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 55485948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).