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

C15H18N6S — CID 70785769

IUPAC4-methyl-2-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,3-thiazole
SMILESCc1csc(Cn2ccnc2-c2cc3n(n2)CCCNC3)n1
InChIInChI=1S/C15H18N6S/c1-11-10-22-14(18-11)9-20-6-4-17-15(20)13-7-12-8-16-3-2-5-21(12)19-13/h4,6-7,10,16H,2-3,5,8-9H2,1H3
InChIKeyMSCJEKZWLGNAMT-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.05
Rot. Bonds3

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

4-methyl-2-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 70785769) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is 4-methyl-2-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,3-thiazole
PubChem CID70785769
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name4-methyl-2-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,3-thiazole
SMILESCc1csc(Cn2ccnc2-c2cc3n(n2)CCCNC3)n1
InChIInChI=1S/C15H18N6S/c1-11-10-22-14(18-11)9-20-6-4-17-15(20)13-7-12-8-16-3-2-5-21(12)19-13/h4,6-7,10,16H,2-3,5,8-9H2,1H3
InChIKeyMSCJEKZWLGNAMT-UHFFFAOYSA-N
XLogP2.05
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,3-thiazole (CID 70785769) is 4-methyl-2-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,3-thiazole is Cc1csc(Cn2ccnc2-c2cc3n(n2)CCCNC3)n1.
What is the InChIKey of 4-methyl-2-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is MSCJEKZWLGNAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-11-10-22-14(18-11)9-20-6-4-17-15(20)13-7-12-8-16-3-2-5-21(12)19-13/h4,6-7,10,16H,2-3,5,8-9H2,1H3.
What are the key properties of 4-methyl-2-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,3-thiazole?
4-methyl-2-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 314.42 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 70785769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).