N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

C17H18N6S — CID 97279933

IUPACN-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N[C@@H](Cn3ccnc3)c3ccccc3)sc12
InChIInChI=1S/C17H18N6S/c1-12-15-16(22(2)21-12)20-17(24-15)19-14(10-23-9-8-18-11-23)13-6-4-3-5-7-13/h3-9,11,14H,10H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyIVXNRSSNWYAYDQ-AWEZNQCLSA-N
MW338.44 g/mol
LogP3.39
Rot. Bonds5

About N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 97279933) has the molecular formula C17H18N6S and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID97279933
Molecular FormulaC17H18N6S
Molecular Weight338.44 g/mol
Exact Mass338.13
IUPAC NameN-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N[C@@H](Cn3ccnc3)c3ccccc3)sc12
InChIInChI=1S/C17H18N6S/c1-12-15-16(22(2)21-12)20-17(24-15)19-14(10-23-9-8-18-11-23)13-6-4-3-5-7-13/h3-9,11,14H,10H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyIVXNRSSNWYAYDQ-AWEZNQCLSA-N
XLogP3.39
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95730110
1,3-dimethyl-N-[(1R)-1-(5-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97453339
1-imidazol-1-yl-N-(1-phenylethyl)propan-2-amine
CID 43749763
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95888823
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 99946597
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)acetamide
CID 119061136
N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
N-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876062
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
CID 95197180
3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine
CID 43792012
N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 77097472
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 99958729

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 97279933) is N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(N[C@@H](Cn3ccnc3)c3ccccc3)sc12.
What is the InChIKey of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is IVXNRSSNWYAYDQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N6S/c1-12-15-16(22(2)21-12)20-17(24-15)19-14(10-23-9-8-18-11-23)13-6-4-3-5-7-13/h3-9,11,14H,10H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 338.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 97279933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).