1-[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine

C12H16N4OS — CID 97382330

IUPAC1-[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCn1cc2c(n1)[C@H](CNCc1nccs1)OCC2
InChIInChI=1S/C12H16N4OS/c1-16-8-9-2-4-17-10(12(9)15-16)6-13-7-11-14-3-5-18-11/h3,5,8,10,13H,2,4,6-7H2,1H3/t10-/m0/s1
InChIKeyISIXXUKFOWPOMC-JTQLQIEISA-N
MW264.35 g/mol
LogP1.28
Rot. Bonds4

About 1-[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine

1-[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 97382330) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID97382330
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCn1cc2c(n1)[C@H](CNCc1nccs1)OCC2
InChIInChI=1S/C12H16N4OS/c1-16-8-9-2-4-17-10(12(9)15-16)6-13-7-11-14-3-5-18-11/h3,5,8,10,13H,2,4,6-7H2,1H3/t10-/m0/s1
InChIKeyISIXXUKFOWPOMC-JTQLQIEISA-N
XLogP1.28
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 97382330) is 1-[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine is Cn1cc2c(n1)[C@H](CNCc1nccs1)OCC2.
What is the InChIKey of 1-[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is ISIXXUKFOWPOMC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N4OS/c1-16-8-9-2-4-17-10(12(9)15-16)6-13-7-11-14-3-5-18-11/h3,5,8,10,13H,2,4,6-7H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 264.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 97382330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).