N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide

C15H13N5O2S — CID 90543512

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide
SMILESO=C(Nc1nc2c(s1)COCC2)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H13N5O2S/c21-14(18-15-17-11-6-7-22-9-13(11)23-15)12-8-16-20(19-12)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,17,18,21)
InChIKeyQAVBOTIKZPBEEW-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.05
Rot. Bonds3

About N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide (PubChem CID 90543512) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide
PubChem CID90543512
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide
SMILESO=C(Nc1nc2c(s1)COCC2)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H13N5O2S/c21-14(18-15-17-11-6-7-22-9-13(11)23-15)12-8-16-20(19-12)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,17,18,21)
InChIKeyQAVBOTIKZPBEEW-UHFFFAOYSA-N
XLogP2.05
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide
CID 90532343
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 71794708
N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90524968
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-phenyltriazole-4-carboxamide
CID 86266904
N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90526831
2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 51295625
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 128553213
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
CID 122356809
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90543641
7-chloro-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)quinoline-2-carboxamide
CID 71923097
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-phenyltriazole-4-carboxamide
CID 46605563
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 119772337

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide (CID 90543512) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide is O=C(Nc1nc2c(s1)COCC2)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide?
The InChIKey is QAVBOTIKZPBEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c21-14(18-15-17-11-6-7-22-9-13(11)23-15)12-8-16-20(19-12)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,17,18,21).
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 90543512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).