4,4-dimethyl-2-piperidin-2-ylchromeno[4,3-d][1,3]thiazole

C17H20N2OS — CID 81140549

IUPAC4,4-dimethyl-2-piperidin-2-ylchromeno[4,3-d][1,3]thiazole
SMILESCC1(C)Oc2ccccc2-c2nc(C3CCCCN3)sc21
InChIInChI=1S/C17H20N2OS/c1-17(2)15-14(11-7-3-4-9-13(11)20-17)19-16(21-15)12-8-5-6-10-18-12/h3-4,7,9,12,18H,5-6,8,10H2,1-2H3
InChIKeyULBAYCSPQQCSJW-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.25
Rot. Bonds1

About 4,4-dimethyl-2-piperidin-2-ylchromeno[4,3-d][1,3]thiazole

4,4-dimethyl-2-piperidin-2-ylchromeno[4,3-d][1,3]thiazole (PubChem CID 81140549) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 4,4-dimethyl-2-piperidin-2-ylchromeno[4,3-d][1,3]thiazole.

Molecular Properties

Compound Name4,4-dimethyl-2-piperidin-2-ylchromeno[4,3-d][1,3]thiazole
PubChem CID81140549
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name4,4-dimethyl-2-piperidin-2-ylchromeno[4,3-d][1,3]thiazole
SMILESCC1(C)Oc2ccccc2-c2nc(C3CCCCN3)sc21
InChIInChI=1S/C17H20N2OS/c1-17(2)15-14(11-7-3-4-9-13(11)20-17)19-16(21-15)12-8-5-6-10-18-12/h3-4,7,9,12,18H,5-6,8,10H2,1-2H3
InChIKeyULBAYCSPQQCSJW-UHFFFAOYSA-N
XLogP4.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-2-piperidin-2-ylchromeno[4,3-d][1,3]thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropyl-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)methanamine
CID 81139716
5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole
CID 55084812
2-pyrrolidin-2-yl-4,5-dihydrobenzo[e][1,3]benzothiazole
CID 62541233
ethyl 2-(4,4-dimethylchromeno[4,3-d][1,3]thiazol-2-yl)acetate
CID 81140555
2-piperidin-2-yl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole
CID 113315254
5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole
CID 83693618
2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 65335157
2-(azepan-2-yl)-5-chloro-1,3-benzothiazole
CID 64560708
4-(4-chlorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole
CID 62542301
4-(2,5-difluorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole
CID 102554205
3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43102485
6-chloro-2-piperidin-2-yl-1,3-benzothiazole
CID 79528887

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-piperidin-2-ylchromeno[4,3-d][1,3]thiazole?
The IUPAC name of 4,4-dimethyl-2-piperidin-2-ylchromeno[4,3-d][1,3]thiazole (CID 81140549) is 4,4-dimethyl-2-piperidin-2-ylchromeno[4,3-d][1,3]thiazole.
What is the SMILES notation for 4,4-dimethyl-2-piperidin-2-ylchromeno[4,3-d][1,3]thiazole?
The canonical SMILES for 4,4-dimethyl-2-piperidin-2-ylchromeno[4,3-d][1,3]thiazole is CC1(C)Oc2ccccc2-c2nc(C3CCCCN3)sc21.
What is the InChIKey of 4,4-dimethyl-2-piperidin-2-ylchromeno[4,3-d][1,3]thiazole?
The InChIKey is ULBAYCSPQQCSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-17(2)15-14(11-7-3-4-9-13(11)20-17)19-16(21-15)12-8-5-6-10-18-12/h3-4,7,9,12,18H,5-6,8,10H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-piperidin-2-ylchromeno[4,3-d][1,3]thiazole?
4,4-dimethyl-2-piperidin-2-ylchromeno[4,3-d][1,3]thiazole has a molecular weight of 300.43 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-piperidin-2-ylchromeno[4,3-d][1,3]thiazole is sourced from PubChem (CID 81140549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).