N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1,3-benzothiazole-2-carboxamide

C16H16N4O2S — CID 71808479

IUPACN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1,3-benzothiazole-2-carboxamide
SMILESCn1nc(CNC(=O)c2nc3ccccc3s2)c2c1CCOC2
InChIInChI=1S/C16H16N4O2S/c1-20-13-6-7-22-9-10(13)12(19-20)8-17-15(21)16-18-11-4-2-3-5-14(11)23-16/h2-5H,6-9H2,1H3,(H,17,21)
InChIKeyNREWVFWNORJBTP-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.03
Rot. Bonds3

About N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1,3-benzothiazole-2-carboxamide

N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 71808479) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1,3-benzothiazole-2-carboxamide
PubChem CID71808479
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1,3-benzothiazole-2-carboxamide
SMILESCn1nc(CNC(=O)c2nc3ccccc3s2)c2c1CCOC2
InChIInChI=1S/C16H16N4O2S/c1-20-13-6-7-22-9-10(13)12(19-20)8-17-15(21)16-18-11-4-2-3-5-14(11)23-16/h2-5H,6-9H2,1H3,(H,17,21)
InChIKeyNREWVFWNORJBTP-UHFFFAOYSA-N
XLogP2.03
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1,3-benzothiazole-2-carboxamide (CID 71808479) is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1,3-benzothiazole-2-carboxamide is Cn1nc(CNC(=O)c2nc3ccccc3s2)c2c1CCOC2.
What is the InChIKey of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is NREWVFWNORJBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-20-13-6-7-22-9-10(13)12(19-20)8-17-15(21)16-18-11-4-2-3-5-14(11)23-16/h2-5H,6-9H2,1H3,(H,17,21).
What are the key properties of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1,3-benzothiazole-2-carboxamide?
N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 71808479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).