2,5-dichloro-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)benzamide

C16H18Cl2N3OS+ — CID 8550392

IUPAC2,5-dichloro-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)benzamide
SMILESCC(C)[NH+]1CCc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2C1
InChIInChI=1S/C16H17Cl2N3OS/c1-9(2)21-6-5-13-14(8-21)23-16(19-13)20-15(22)11-7-10(17)3-4-12(11)18/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,20,22)/p+1
InChIKeyITJVTAPMNSBXAU-UHFFFAOYSA-O
MW371.31 g/mol
LogP3.05
Rot. Bonds3

About 2,5-dichloro-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)benzamide

2,5-dichloro-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)benzamide (PubChem CID 8550392) has the molecular formula C16H18Cl2N3OS+ and a molecular weight of 371.31 g/mol. Its IUPAC name is 2,5-dichloro-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)benzamide
PubChem CID8550392
Molecular FormulaC16H18Cl2N3OS+
Molecular Weight371.31 g/mol
Exact Mass370.05
IUPAC Name2,5-dichloro-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)benzamide
SMILESCC(C)[NH+]1CCc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2C1
InChIInChI=1S/C16H17Cl2N3OS/c1-9(2)21-6-5-13-14(8-21)23-16(19-13)20-15(22)11-7-10(17)3-4-12(11)18/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,20,22)/p+1
InChIKeyITJVTAPMNSBXAU-UHFFFAOYSA-O
XLogP3.05
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)benzamide with MolForge

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Related Compounds

2,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593378
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide
CID 16547111
tert-butyl 2-[(2,5-dichlorobenzoyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 24631573
2,4-dichloro-N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)benzamide
CID 7136101
2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 27421659
4-chloro-2-hydroxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593292
5-chloro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-nitrobenzamide
CID 2325211
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 24611843
2-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-carboxamide
CID 106686629
4-chloro-2-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 51096037
2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 3297562
N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-methylbenzamide
CID 8550745

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)benzamide (CID 8550392) is 2,5-dichloro-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)benzamide is CC(C)[NH+]1CCc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2C1.
What is the InChIKey of 2,5-dichloro-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)benzamide?
The InChIKey is ITJVTAPMNSBXAU-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17Cl2N3OS/c1-9(2)21-6-5-13-14(8-21)23-16(19-13)20-15(22)11-7-10(17)3-4-12(11)18/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,20,22)/p+1.
What are the key properties of 2,5-dichloro-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)benzamide?
2,5-dichloro-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)benzamide has a molecular weight of 371.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)benzamide is sourced from PubChem (CID 8550392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).