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

C16H20N6S — CID 70710123

IUPAC4-methyl-5-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]-1,3-thiazole
SMILESCc1ncsc1CCn1ccnc1-c1cc2n(n1)CCCNC2
InChIInChI=1S/C16H20N6S/c1-12-15(23-11-19-12)3-7-21-8-5-18-16(21)14-9-13-10-17-4-2-6-22(13)20-14/h5,8-9,11,17H,2-4,6-7,10H2,1H3
InChIKeyGJUXXVIDYLKBPU-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.25
Rot. Bonds4

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

4-methyl-5-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]-1,3-thiazole (PubChem CID 70710123) has the molecular formula C16H20N6S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-methyl-5-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]-1,3-thiazole
PubChem CID70710123
Molecular FormulaC16H20N6S
Molecular Weight328.44 g/mol
Exact Mass328.15
IUPAC Name4-methyl-5-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]-1,3-thiazole
SMILESCc1ncsc1CCn1ccnc1-c1cc2n(n1)CCCNC2
InChIInChI=1S/C16H20N6S/c1-12-15(23-11-19-12)3-7-21-8-5-18-16(21)14-9-13-10-17-4-2-6-22(13)20-14/h5,8-9,11,17H,2-4,6-7,10H2,1H3
InChIKeyGJUXXVIDYLKBPU-UHFFFAOYSA-N
XLogP2.25
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]-1,3-thiazole (CID 70710123) is 4-methyl-5-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]-1,3-thiazole is Cc1ncsc1CCn1ccnc1-c1cc2n(n1)CCCNC2.
What is the InChIKey of 4-methyl-5-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
The InChIKey is GJUXXVIDYLKBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S/c1-12-15(23-11-19-12)3-7-21-8-5-18-16(21)14-9-13-10-17-4-2-6-22(13)20-14/h5,8-9,11,17H,2-4,6-7,10H2,1H3.
What are the key properties of 4-methyl-5-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
4-methyl-5-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]-1,3-thiazole has a molecular weight of 328.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 70710123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).