3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

C18H24N6OS — CID 91960298

IUPAC3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESCCn1nc(C)c2c1cnn2CCC(=O)Nc1nc2c(s1)CC(C)CC2
InChIInChI=1S/C18H24N6OS/c1-4-23-14-10-19-24(17(14)12(3)22-23)8-7-16(25)21-18-20-13-6-5-11(2)9-15(13)26-18/h10-11H,4-9H2,1-3H3,(H,20,21,25)
InChIKeyDNFHGTZVBXNXRL-UHFFFAOYSA-N
MW372.50 g/mol
LogP3.17
Rot. Bonds5

About 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 91960298) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
PubChem CID91960298
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESCCn1nc(C)c2c1cnn2CCC(=O)Nc1nc2c(s1)CC(C)CC2
InChIInChI=1S/C18H24N6OS/c1-4-23-14-10-19-24(17(14)12(3)22-23)8-7-16(25)21-18-20-13-6-5-11(2)9-15(13)26-18/h10-11H,4-9H2,1-3H3,(H,20,21,25)
InChIKeyDNFHGTZVBXNXRL-UHFFFAOYSA-N
XLogP3.17
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (CID 91960298) is 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is CCn1nc(C)c2c1cnn2CCC(=O)Nc1nc2c(s1)CC(C)CC2.
What is the InChIKey of 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is DNFHGTZVBXNXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-4-23-14-10-19-24(17(14)12(3)22-23)8-7-16(25)21-18-20-13-6-5-11(2)9-15(13)26-18/h10-11H,4-9H2,1-3H3,(H,20,21,25).
What are the key properties of 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 372.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 91960298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).