N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine

C18H28N6S — CID 70771129

IUPACN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NCc2cc3n(n2)CCN(C2CCCCC2)C3)s1
InChIInChI=1S/C18H28N6S/c1-13(2)17-20-21-18(25-17)19-11-14-10-16-12-23(8-9-24(16)22-14)15-6-4-3-5-7-15/h10,13,15H,3-9,11-12H2,1-2H3,(H,19,21)
InChIKeyCMOKQPTWRCONNB-UHFFFAOYSA-N
MW360.53 g/mol
LogP3.62
Rot. Bonds5

About N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine

N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 70771129) has the molecular formula C18H28N6S and a molecular weight of 360.53 g/mol. Its IUPAC name is N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID70771129
Molecular FormulaC18H28N6S
Molecular Weight360.53 g/mol
Exact Mass360.21
IUPAC NameN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NCc2cc3n(n2)CCN(C2CCCCC2)C3)s1
InChIInChI=1S/C18H28N6S/c1-13(2)17-20-21-18(25-17)19-11-14-10-16-12-23(8-9-24(16)22-14)15-6-4-3-5-7-15/h10,13,15H,3-9,11-12H2,1-2H3,(H,19,21)
InChIKeyCMOKQPTWRCONNB-UHFFFAOYSA-N
XLogP3.62
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine 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 N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 70771129) is N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)c1nnc(NCc2cc3n(n2)CCN(C2CCCCC2)C3)s1.
What is the InChIKey of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is CMOKQPTWRCONNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6S/c1-13(2)17-20-21-18(25-17)19-11-14-10-16-12-23(8-9-24(16)22-14)15-6-4-3-5-7-15/h10,13,15H,3-9,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 360.53 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 70771129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).