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

C17H16N6O2S — CID 90524968

IUPACN-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)CN(C(=O)c1cnn(-c3ccccc3)n1)CC2
InChIInChI=1S/C17H16N6O2S/c1-11(24)19-17-20-13-7-8-22(10-15(13)26-17)16(25)14-9-18-23(21-14)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,19,20,24)
InChIKeyTZQLEAUBBMDXMI-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.88
Rot. Bonds3

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

N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (PubChem CID 90524968) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
PubChem CID90524968
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC NameN-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)CN(C(=O)c1cnn(-c3ccccc3)n1)CC2
InChIInChI=1S/C17H16N6O2S/c1-11(24)19-17-20-13-7-8-22(10-15(13)26-17)16(25)14-9-18-23(21-14)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,19,20,24)
InChIKeyTZQLEAUBBMDXMI-UHFFFAOYSA-N
XLogP1.88
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90526831
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide
CID 90532343
N-[5-(2-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525044
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide
CID 90543512
N-[5-(3-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525045
N-[5-(thiophene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525186
N-[5-(2-phenoxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525102
N-[5-(3,5-dimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525060
N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525198
N-[5-(4-ethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525054
5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide
CID 31245667
2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90480656

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The IUPAC name of N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (CID 90524968) is N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The canonical SMILES for N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is CC(=O)Nc1nc2c(s1)CN(C(=O)c1cnn(-c3ccccc3)n1)CC2.
What is the InChIKey of N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The InChIKey is TZQLEAUBBMDXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-11(24)19-17-20-13-7-8-22(10-15(13)26-17)16(25)14-9-18-23(21-14)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,19,20,24).
What are the key properties of N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide has a molecular weight of 368.42 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 90524968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).