5-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

C14H20N6S — CID 56912686

IUPAC5-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESNc1nc2c(s1)CN(Cc1cc3n(n1)CCCNC3)CC2
InChIInChI=1S/C14H20N6S/c15-14-17-12-2-5-19(9-13(12)21-14)8-10-6-11-7-16-3-1-4-20(11)18-10/h6,16H,1-5,7-9H2,(H2,15,17)
InChIKeyIJNSWNPRNCLVTN-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.97
Rot. Bonds2

About 5-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

5-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 56912686) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

Compound Name5-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
PubChem CID56912686
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name5-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESNc1nc2c(s1)CN(Cc1cc3n(n1)CCCNC3)CC2
InChIInChI=1S/C14H20N6S/c15-14-17-12-2-5-19(9-13(12)21-14)8-10-6-11-7-16-3-1-4-20(11)18-10/h6,16H,1-5,7-9H2,(H2,15,17)
InChIKeyIJNSWNPRNCLVTN-UHFFFAOYSA-N
XLogP0.97
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The IUPAC name of 5-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 56912686) is 5-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.
What is the SMILES notation for 5-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The canonical SMILES for 5-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is Nc1nc2c(s1)CN(Cc1cc3n(n1)CCCNC3)CC2.
What is the InChIKey of 5-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The InChIKey is IJNSWNPRNCLVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c15-14-17-12-2-5-19(9-13(12)21-14)8-10-6-11-7-16-3-1-4-20(11)18-10/h6,16H,1-5,7-9H2,(H2,15,17).
What are the key properties of 5-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
5-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 304.42 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 56912686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).