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

C15H18N4O2S — CID 97367852

IUPACN-[[(7S)-2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC[C@@H]1OCCc2cn(CC3CC3)nc21)c1cscn1
InChIInChI=1S/C15H18N4O2S/c20-15(12-8-22-9-17-12)16-5-13-14-11(3-4-21-13)7-19(18-14)6-10-1-2-10/h7-10,13H,1-6H2,(H,16,20)/t13-/m0/s1
InChIKeyXZXTUEBEVVFGPC-ZDUSSCGKSA-N
MW318.40 g/mol
LogP1.79
Rot. Bonds5

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

N-[[(7S)-2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 97367852) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[[(7S)-2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(7S)-2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID97367852
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[[(7S)-2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC[C@@H]1OCCc2cn(CC3CC3)nc21)c1cscn1
InChIInChI=1S/C15H18N4O2S/c20-15(12-8-22-9-17-12)16-5-13-14-11(3-4-21-13)7-19(18-14)6-10-1-2-10/h7-10,13H,1-6H2,(H,16,20)/t13-/m0/s1
InChIKeyXZXTUEBEVVFGPC-ZDUSSCGKSA-N
XLogP1.79
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(7S)-2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[(7S)-2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide (CID 97367852) is N-[[(7S)-2-(cyclopropylmethyl)-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-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[(7S)-2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(NC[C@@H]1OCCc2cn(CC3CC3)nc21)c1cscn1.
What is the InChIKey of N-[[(7S)-2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XZXTUEBEVVFGPC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O2S/c20-15(12-8-22-9-17-12)16-5-13-14-11(3-4-21-13)7-19(18-14)6-10-1-2-10/h7-10,13H,1-6H2,(H,16,20)/t13-/m0/s1.
What are the key properties of N-[[(7S)-2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[(7S)-2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7S)-2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97367852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).