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

C15H13N5O2S2 — CID 90525198

IUPACN-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)CN(C(=O)c1ccc3nsnc3c1)CC2
InChIInChI=1S/C15H13N5O2S2/c1-8(21)16-15-17-11-4-5-20(7-13(11)23-15)14(22)9-2-3-10-12(6-9)19-24-18-10/h2-3,6H,4-5,7H2,1H3,(H,16,17,21)
InChIKeyQGJBHLFXTWHJEB-UHFFFAOYSA-N
MW359.44 g/mol
LogP2.30
Rot. Bonds2

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

N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (PubChem CID 90525198) has the molecular formula C15H13N5O2S2 and a molecular weight of 359.44 g/mol. Its IUPAC name is N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
PubChem CID90525198
Molecular FormulaC15H13N5O2S2
Molecular Weight359.44 g/mol
Exact Mass359.05
IUPAC NameN-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)CN(C(=O)c1ccc3nsnc3c1)CC2
InChIInChI=1S/C15H13N5O2S2/c1-8(21)16-15-17-11-4-5-20(7-13(11)23-15)14(22)9-2-3-10-12(6-9)19-24-18-10/h2-3,6H,4-5,7H2,1H3,(H,16,17,21)
InChIKeyQGJBHLFXTWHJEB-UHFFFAOYSA-N
XLogP2.30
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525045
N-[5-(4-ethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525054
N-[5-(thiophene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525186
N-[5-(3,5-dimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525060
N-[6-[1-(2,1,3-benzothiadiazol-5-yl)ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide
CID 154685614
N-[5-(2-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525044
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,3-diphenylpropanamide
CID 108725786
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-methoxyethoxy)acetamide
CID 108725696
5-methyl-N-[5-(4-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530303
ethyl N-[5-(naphthalene-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527889
N-[5-(4-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531120
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 108749906

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The IUPAC name of N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (CID 90525198) is N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The canonical SMILES for N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is CC(=O)Nc1nc2c(s1)CN(C(=O)c1ccc3nsnc3c1)CC2.
What is the InChIKey of N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The InChIKey is QGJBHLFXTWHJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S2/c1-8(21)16-15-17-11-4-5-20(7-13(11)23-15)14(22)9-2-3-10-12(6-9)19-24-18-10/h2-3,6H,4-5,7H2,1H3,(H,16,17,21).
What are the key properties of N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide has a molecular weight of 359.44 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 90525198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).