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

C15H18N4O2S — CID 131646350

IUPACN-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1OCCc2cn(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)
InChIKeyXZXTUEBEVVFGPC-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.79
Rot. Bonds5

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

N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 131646350) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID131646350
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1OCCc2cn(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)
InChIKeyXZXTUEBEVVFGPC-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide (CID 131646350) is N-[[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-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCC1OCCc2cn(CC3CC3)nc21)c1cscn1.
What is the InChIKey of N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XZXTUEBEVVFGPC-UHFFFAOYSA-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).
What are the key properties of N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[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-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131646350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).