N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide

C17H16N4O2S — CID 71794734

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nc3c(s2)COCC3)cnn1-c1ccccc1
InChIInChI=1S/C17H16N4O2S/c1-11-13(9-18-21(11)12-5-3-2-4-6-12)16(22)20-17-19-14-7-8-23-10-15(14)24-17/h2-6,9H,7-8,10H2,1H3,(H,19,20,22)
InChIKeyQQFNMPQTSURLRC-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.96
Rot. Bonds3

About N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 71794734) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID71794734
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nc3c(s2)COCC3)cnn1-c1ccccc1
InChIInChI=1S/C17H16N4O2S/c1-11-13(9-18-21(11)12-5-3-2-4-6-12)16(22)20-17-19-14-7-8-23-10-15(14)24-17/h2-6,9H,7-8,10H2,1H3,(H,19,20,22)
InChIKeyQQFNMPQTSURLRC-UHFFFAOYSA-N
XLogP2.96
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 71794734) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2nc3c(s2)COCC3)cnn1-c1ccccc1.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is QQFNMPQTSURLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11-13(9-18-21(11)12-5-3-2-4-6-12)16(22)20-17-19-14-7-8-23-10-15(14)24-17/h2-6,9H,7-8,10H2,1H3,(H,19,20,22).
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 71794734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).