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

C12H14N4O2S — CID 134072091

IUPACN-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc2c(n1)C(CNC(=O)c1cscn1)OCC2
InChIInChI=1S/C12H14N4O2S/c1-16-5-8-2-3-18-10(11(8)15-16)4-13-12(17)9-6-19-7-14-9/h5-7,10H,2-4H2,1H3,(H,13,17)
InChIKeyFVZLQXMRUGEBDR-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.92
Rot. Bonds3

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

N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 134072091) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID134072091
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc2c(n1)C(CNC(=O)c1cscn1)OCC2
InChIInChI=1S/C12H14N4O2S/c1-16-5-8-2-3-18-10(11(8)15-16)4-13-12(17)9-6-19-7-14-9/h5-7,10H,2-4H2,1H3,(H,13,17)
InChIKeyFVZLQXMRUGEBDR-UHFFFAOYSA-N
XLogP0.92
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)thiazole-4-carboxamide
CID 86713899
[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 118744367
[1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 118744689
1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 118745895
1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 118745894
Methyl 2-[(3-methyl-4-piperidin-4-ylpyrazol-1-yl)methyl]-1,3-thiazole-4-carboxylate
CID 177659894
N-(1,3-thiazol-4-ylmethyl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide
CID 138025167
N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155842250
1-(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 155845433
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155866161
[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 131649740
[7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 131654857

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1,3-thiazole-4-carboxamide (CID 134072091) is N-[(2-methyl-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-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1,3-thiazole-4-carboxamide is Cn1cc2c(n1)C(CNC(=O)c1cscn1)OCC2.
What is the InChIKey of N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FVZLQXMRUGEBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-16-5-8-2-3-18-10(11(8)15-16)4-13-12(17)9-6-19-7-14-9/h5-7,10H,2-4H2,1H3,(H,13,17).
What are the key properties of N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1,3-thiazole-4-carboxamide?
N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134072091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).