N-benzyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine

C18H22N4OS — CID 72926395

IUPACN-benzyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(Cc3ccccc3)CC3CCCO3)sc12
InChIInChI=1S/C18H22N4OS/c1-13-16-17(21(2)20-13)19-18(24-16)22(12-15-9-6-10-23-15)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-12H2,1-2H3
InChIKeyYGRUKRZRUIFPIG-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.52
Rot. Bonds5

About N-benzyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine

N-benzyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72926395) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N-benzyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-benzyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72926395
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN-benzyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(Cc3ccccc3)CC3CCCO3)sc12
InChIInChI=1S/C18H22N4OS/c1-13-16-17(21(2)20-13)19-18(24-16)22(12-15-9-6-10-23-15)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-12H2,1-2H3
InChIKeyYGRUKRZRUIFPIG-UHFFFAOYSA-N
XLogP3.52
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-6-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 71845614
N-[(4-fluorophenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72940604
N,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 95798355
2-[ethyl(oxolan-2-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765974
1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97436789
6-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]pyridin-2-amine
CID 99800051
N-[(3-fluorophenyl)methyl]-1,3,6-trimethyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 49337892
6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine
CID 80646622
2-[benzyl(ethyl)amino]-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324706
N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61014418
5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine
CID 62769279
1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 126783872

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-benzyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72926395) is N-benzyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-benzyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-benzyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(N(Cc3ccccc3)CC3CCCO3)sc12.
What is the InChIKey of N-benzyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is YGRUKRZRUIFPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-13-16-17(21(2)20-13)19-18(24-16)22(12-15-9-6-10-23-15)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-12H2,1-2H3.
What are the key properties of N-benzyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
N-benzyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 342.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72926395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).