4-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]-1,3-thiazole

C17H22N6S — CID 70785862

IUPAC4-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]-1,3-thiazole
SMILESCc1ncsc1CCCn1ccnc1-c1cc2n(n1)CCCNC2
InChIInChI=1S/C17H22N6S/c1-13-16(24-12-20-13)4-2-7-22-9-6-19-17(22)15-10-14-11-18-5-3-8-23(14)21-15/h6,9-10,12,18H,2-5,7-8,11H2,1H3
InChIKeyDIJSWFFGTUQSGV-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.64
Rot. Bonds5

About 4-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]-1,3-thiazole

4-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]-1,3-thiazole (PubChem CID 70785862) has the molecular formula C17H22N6S and a molecular weight of 342.47 g/mol. Its IUPAC name is 4-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]-1,3-thiazole
PubChem CID70785862
Molecular FormulaC17H22N6S
Molecular Weight342.47 g/mol
Exact Mass342.16
IUPAC Name4-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]-1,3-thiazole
SMILESCc1ncsc1CCCn1ccnc1-c1cc2n(n1)CCCNC2
InChIInChI=1S/C17H22N6S/c1-13-16(24-12-20-13)4-2-7-22-9-6-19-17(22)15-10-14-11-18-5-3-8-23(14)21-15/h6,9-10,12,18H,2-5,7-8,11H2,1H3
InChIKeyDIJSWFFGTUQSGV-UHFFFAOYSA-N
XLogP2.64
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]-1,3-thiazole (CID 70785862) is 4-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]-1,3-thiazole is Cc1ncsc1CCCn1ccnc1-c1cc2n(n1)CCCNC2.
What is the InChIKey of 4-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]-1,3-thiazole?
The InChIKey is DIJSWFFGTUQSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6S/c1-13-16(24-12-20-13)4-2-7-22-9-6-19-17(22)15-10-14-11-18-5-3-8-23(14)21-15/h6,9-10,12,18H,2-5,7-8,11H2,1H3.
What are the key properties of 4-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]-1,3-thiazole?
4-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]-1,3-thiazole has a molecular weight of 342.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]-1,3-thiazole is sourced from PubChem (CID 70785862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).