N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide

C16H18N6OS — CID 98074526

IUPACN-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCC(c2[nH]nc3nccnc23)CC1)c1cscn1
InChIInChI=1S/C16H18N6OS/c23-16(12-8-24-9-20-12)19-7-10-1-3-11(4-2-10)13-14-15(22-21-13)18-6-5-17-14/h5-6,8-11H,1-4,7H2,(H,19,23)(H,18,21,22)
InChIKeyCBMVPHGOXDYTJK-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.51
Rot. Bonds4

About N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide

N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 98074526) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID98074526
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC NameN-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCC(c2[nH]nc3nccnc23)CC1)c1cscn1
InChIInChI=1S/C16H18N6OS/c23-16(12-8-24-9-20-12)19-7-10-1-3-11(4-2-10)13-14-15(22-21-13)18-6-5-17-14/h5-6,8-11H,1-4,7H2,(H,19,23)(H,18,21,22)
InChIKeyCBMVPHGOXDYTJK-UHFFFAOYSA-N
XLogP2.51
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide (CID 98074526) is N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCC1CCC(c2[nH]nc3nccnc23)CC1)c1cscn1.
What is the InChIKey of N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CBMVPHGOXDYTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c23-16(12-8-24-9-20-12)19-7-10-1-3-11(4-2-10)13-14-15(22-21-13)18-6-5-17-14/h5-6,8-11H,1-4,7H2,(H,19,23)(H,18,21,22).
What are the key properties of N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide?
N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 98074526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).