N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide

C14H14N4O3S — CID 58936305

IUPACN-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide
SMILESCc1cnc(NC(=O)CCOc2ccc3c(=O)[nH][nH]c3c2)s1
InChIInChI=1S/C14H14N4O3S/c1-8-7-15-14(22-8)16-12(19)4-5-21-9-2-3-10-11(6-9)17-18-13(10)20/h2-3,6-7H,4-5H2,1H3,(H,15,16,19)(H2,17,18,20)
InChIKeyXOHDEVPBFPQRHL-UHFFFAOYSA-N
MW318.36 g/mol
LogP2.03
Rot. Bonds5

About N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide

N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide (PubChem CID 58936305) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide
PubChem CID58936305
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide
SMILESCc1cnc(NC(=O)CCOc2ccc3c(=O)[nH][nH]c3c2)s1
InChIInChI=1S/C14H14N4O3S/c1-8-7-15-14(22-8)16-12(19)4-5-21-9-2-3-10-11(6-9)17-18-13(10)20/h2-3,6-7H,4-5H2,1H3,(H,15,16,19)(H2,17,18,20)
InChIKeyXOHDEVPBFPQRHL-UHFFFAOYSA-N
XLogP2.03
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide (CID 58936305) is N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide is Cc1cnc(NC(=O)CCOc2ccc3c(=O)[nH][nH]c3c2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide?
The InChIKey is XOHDEVPBFPQRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-8-7-15-14(22-8)16-12(19)4-5-21-9-2-3-10-11(6-9)17-18-13(10)20/h2-3,6-7H,4-5H2,1H3,(H,15,16,19)(H2,17,18,20).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide?
N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide has a molecular weight of 318.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]propanamide is sourced from PubChem (CID 58936305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).