N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide

C14H18N4O3S — CID 97367798

IUPACN-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCOCCn1cc2c(n1)[C@H](CNC(=O)c1cscn1)OCC2
InChIInChI=1S/C14H18N4O3S/c1-20-5-3-18-7-10-2-4-21-12(13(10)17-18)6-15-14(19)11-8-22-9-16-11/h7-9,12H,2-6H2,1H3,(H,15,19)/t12-/m0/s1
InChIKeySDWGFYXLHJVINU-LBPRGKRZSA-N
MW322.39 g/mol
LogP1.03
Rot. Bonds6

About N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide

N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 97367798) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID97367798
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCOCCn1cc2c(n1)[C@H](CNC(=O)c1cscn1)OCC2
InChIInChI=1S/C14H18N4O3S/c1-20-5-3-18-7-10-2-4-21-12(13(10)17-18)6-15-14(19)11-8-22-9-16-11/h7-9,12H,2-6H2,1H3,(H,15,19)/t12-/m0/s1
InChIKeySDWGFYXLHJVINU-LBPRGKRZSA-N
XLogP1.03
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide (CID 97367798) is N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide is COCCn1cc2c(n1)[C@H](CNC(=O)c1cscn1)OCC2.
What is the InChIKey of N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SDWGFYXLHJVINU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-20-5-3-18-7-10-2-4-21-12(13(10)17-18)6-15-14(19)11-8-22-9-16-11/h7-9,12H,2-6H2,1H3,(H,15,19)/t12-/m0/s1.
What are the key properties of N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97367798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).