(4-methylcyclohexyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone

C22H24N2OS — CID 71713173

IUPAC(4-methylcyclohexyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESCC1CCC(C(=O)N2CCc3nc(C#Cc4ccccc4)sc3C2)CC1
InChIInChI=1S/C22H24N2OS/c1-16-7-10-18(11-8-16)22(25)24-14-13-19-20(15-24)26-21(23-19)12-9-17-5-3-2-4-6-17/h2-6,16,18H,7-8,10-11,13-15H2,1H3
InChIKeyLTRWRIPIPVFKAH-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.25
Rot. Bonds1

About (4-methylcyclohexyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone

(4-methylcyclohexyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (PubChem CID 71713173) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is (4-methylcyclohexyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID71713173
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name(4-methylcyclohexyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESCC1CCC(C(=O)N2CCc3nc(C#Cc4ccccc4)sc3C2)CC1
InChIInChI=1S/C22H24N2OS/c1-16-7-10-18(11-8-16)22(25)24-14-13-19-20(15-24)26-21(23-19)12-9-17-5-3-2-4-6-17/h2-6,16,18H,7-8,10-11,13-15H2,1H3
InChIKeyLTRWRIPIPVFKAH-UHFFFAOYSA-N
XLogP4.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

CID 10388027
CID 10388027
CID 11269712
CID 11269712
CID 23645938
CID 23645938
CID 23645939
CID 23645939
CID 23645940
CID 23645940
CID 23645941
CID 23645941
CID 23645942
CID 23645942
CID 53246019
CID 53246019
CID 53246020
CID 53246020
CID 53246141
CID 53246141
CID 8031909
CID 8031909
CID 71712584
CID 71712584

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The IUPAC name of (4-methylcyclohexyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (CID 71713173) is (4-methylcyclohexyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4-methylcyclohexyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The canonical SMILES for (4-methylcyclohexyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is CC1CCC(C(=O)N2CCc3nc(C#Cc4ccccc4)sc3C2)CC1.
What is the InChIKey of (4-methylcyclohexyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The InChIKey is LTRWRIPIPVFKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-16-7-10-18(11-8-16)22(25)24-14-13-19-20(15-24)26-21(23-19)12-9-17-5-3-2-4-6-17/h2-6,16,18H,7-8,10-11,13-15H2,1H3.
What are the key properties of (4-methylcyclohexyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
(4-methylcyclohexyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone has a molecular weight of 364.51 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is sourced from PubChem (CID 71713173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).