3-[5-(2-chlorophenyl)imidazol-1-yl]-N-(cyclopropylmethyl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-amine

C17H15ClN6S — CID 58925803

IUPAC3-[5-(2-chlorophenyl)imidazol-1-yl]-N-(cyclopropylmethyl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESClc1ccccc1-c1cncn1-c1n[nH]c2nc(NCC3CC3)sc12
InChIInChI=1S/C17H15ClN6S/c18-12-4-2-1-3-11(12)13-8-19-9-24(13)16-14-15(22-23-16)21-17(25-14)20-7-10-5-6-10/h1-4,8-10H,5-7H2,(H2,20,21,22,23)
InChIKeyGHOGLYGBFBNZOX-UHFFFAOYSA-N
MW370.87 g/mol
LogP4.35
Rot. Bonds5

About 3-[5-(2-chlorophenyl)imidazol-1-yl]-N-(cyclopropylmethyl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-amine

3-[5-(2-chlorophenyl)imidazol-1-yl]-N-(cyclopropylmethyl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 58925803) has the molecular formula C17H15ClN6S and a molecular weight of 370.87 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)imidazol-1-yl]-N-(cyclopropylmethyl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)imidazol-1-yl]-N-(cyclopropylmethyl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID58925803
Molecular FormulaC17H15ClN6S
Molecular Weight370.87 g/mol
Exact Mass370.08
IUPAC Name3-[5-(2-chlorophenyl)imidazol-1-yl]-N-(cyclopropylmethyl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESClc1ccccc1-c1cncn1-c1n[nH]c2nc(NCC3CC3)sc12
InChIInChI=1S/C17H15ClN6S/c18-12-4-2-1-3-11(12)13-8-19-9-24(13)16-14-15(22-23-16)21-17(25-14)20-7-10-5-6-10/h1-4,8-10H,5-7H2,(H2,20,21,22,23)
InChIKeyGHOGLYGBFBNZOX-UHFFFAOYSA-N
XLogP4.35
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)imidazol-1-yl]-N-(cyclopropylmethyl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 3-[5-(2-chlorophenyl)imidazol-1-yl]-N-(cyclopropylmethyl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 58925803) is 3-[5-(2-chlorophenyl)imidazol-1-yl]-N-(cyclopropylmethyl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 3-[5-(2-chlorophenyl)imidazol-1-yl]-N-(cyclopropylmethyl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 3-[5-(2-chlorophenyl)imidazol-1-yl]-N-(cyclopropylmethyl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-amine is Clc1ccccc1-c1cncn1-c1n[nH]c2nc(NCC3CC3)sc12.
What is the InChIKey of 3-[5-(2-chlorophenyl)imidazol-1-yl]-N-(cyclopropylmethyl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is GHOGLYGBFBNZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6S/c18-12-4-2-1-3-11(12)13-8-19-9-24(13)16-14-15(22-23-16)21-17(25-14)20-7-10-5-6-10/h1-4,8-10H,5-7H2,(H2,20,21,22,23).
What are the key properties of 3-[5-(2-chlorophenyl)imidazol-1-yl]-N-(cyclopropylmethyl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-amine?
3-[5-(2-chlorophenyl)imidazol-1-yl]-N-(cyclopropylmethyl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 370.87 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)imidazol-1-yl]-N-(cyclopropylmethyl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 58925803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).