N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)benzamide

C17H16N4O2S — CID 139014543

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)benzamide
SMILESO=C(NCc1nc2c(s1)COCC2)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C17H16N4O2S/c22-17(12-3-1-11(2-4-12)13-7-19-20-8-13)18-9-16-21-14-5-6-23-10-15(14)24-16/h1-4,7-8H,5-6,9-10H2,(H,18,22)(H,19,20)
InChIKeySJAWRZYRCDPIPZ-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.54
Rot. Bonds4

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

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 139014543) 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-ylmethyl)-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)benzamide
PubChem CID139014543
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)benzamide
SMILESO=C(NCc1nc2c(s1)COCC2)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C17H16N4O2S/c22-17(12-3-1-11(2-4-12)13-7-19-20-8-13)18-9-16-21-14-5-6-23-10-15(14)24-16/h1-4,7-8H,5-6,9-10H2,(H,18,22)(H,19,20)
InChIKeySJAWRZYRCDPIPZ-UHFFFAOYSA-N
XLogP2.54
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-ylmethyl)-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)benzamide (CID 139014543) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)benzamide is O=C(NCc1nc2c(s1)COCC2)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is SJAWRZYRCDPIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-17(12-3-1-11(2-4-12)13-7-19-20-8-13)18-9-16-21-14-5-6-23-10-15(14)24-16/h1-4,7-8H,5-6,9-10H2,(H,18,22)(H,19,20).
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)benzamide?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 340.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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-ylmethyl)-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 139014543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).