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

C15H13N3O2S — CID 71794715

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1nc2c(s1)COCC2)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H13N3O2S/c19-14(12-7-9-3-1-2-4-10(9)16-12)18-15-17-11-5-6-20-8-13(11)21-15/h1-4,7,16H,5-6,8H2,(H,17,18,19)
InChIKeyLSCNEJZWJDTIDA-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.95
Rot. Bonds2

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

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide (PubChem CID 71794715) has the molecular formula C15H13N3O2S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide
PubChem CID71794715
Molecular FormulaC15H13N3O2S
Molecular Weight299.35 g/mol
Exact Mass299.07
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1nc2c(s1)COCC2)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H13N3O2S/c19-14(12-7-9-3-1-2-4-10(9)16-12)18-15-17-11-5-6-20-8-13(11)21-15/h1-4,7,16H,5-6,8H2,(H,17,18,19)
InChIKeyLSCNEJZWJDTIDA-UHFFFAOYSA-N
XLogP2.95
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide (CID 71794715) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide is O=C(Nc1nc2c(s1)COCC2)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide?
The InChIKey is LSCNEJZWJDTIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-14(12-7-9-3-1-2-4-10(9)16-12)18-15-17-11-5-6-20-8-13(11)21-15/h1-4,7,16H,5-6,8H2,(H,17,18,19).
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 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)-1H-indole-2-carboxamide is sourced from PubChem (CID 71794715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).