2-[(2-propyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C15H19N3OS — CID 75419177

IUPAC2-[(2-propyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCCCc1nc(Cn2nc3c(cc2=O)CCCC3)cs1
InChIInChI=1S/C15H19N3OS/c1-2-5-14-16-12(10-20-14)9-18-15(19)8-11-6-3-4-7-13(11)17-18/h8,10H,2-7,9H2,1H3
InChIKeyRQVNFUAHFOWHKS-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.58
Rot. Bonds4

About 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[(2-propyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 75419177) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[(2-propyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID75419177
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-[(2-propyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCCCc1nc(Cn2nc3c(cc2=O)CCCC3)cs1
InChIInChI=1S/C15H19N3OS/c1-2-5-14-16-12(10-20-14)9-18-15(19)8-11-6-3-4-7-13(11)17-18/h8,10H,2-7,9H2,1H3
InChIKeyRQVNFUAHFOWHKS-UHFFFAOYSA-N
XLogP2.58
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 75419177) is 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one is CCCc1nc(Cn2nc3c(cc2=O)CCCC3)cs1.
What is the InChIKey of 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is RQVNFUAHFOWHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-5-14-16-12(10-20-14)9-18-15(19)8-11-6-3-4-7-13(11)17-18/h8,10H,2-7,9H2,1H3.
What are the key properties of 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[(2-propyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 289.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 75419177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).