2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole

C9H13NOS — CID 122696995

IUPAC2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CCOC2
InChIInChI=1S/C9H13NOS/c1-6(2)9-10-7-5-11-4-3-8(7)12-9/h6H,3-5H2,1-2H3
InChIKeyGBIRWQGGUFLGIW-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.34
Rot. Bonds1

About 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole

2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole (PubChem CID 122696995) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole
PubChem CID122696995
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CCOC2
InChIInChI=1S/C9H13NOS/c1-6(2)9-10-7-5-11-4-3-8(7)12-9/h6H,3-5H2,1-2H3
InChIKeyGBIRWQGGUFLGIW-UHFFFAOYSA-N
XLogP2.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-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

2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole
CID 90306900
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
CID 167624671
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,2-dimethylpropan-1-amine
CID 61339234
2-propan-2-yl-7H-[1,3]dioxino[5,4-d][1,3]thiazole
CID 153359508
2-propan-2-yl-4,6,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-5-one
CID 142447919
cyclopropyl(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)methanamine
CID 61336863
5-ethyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 118696672
N,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine
CID 61333005
N-[oxan-4-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 62385438
5-ethyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 70919757
2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-N-methylpropane-1,2-diamine
CID 83839968
1-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-N-methylethanamine
CID 5152860

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole?
The IUPAC name of 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole (CID 122696995) is 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole.
What is the SMILES notation for 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole?
The canonical SMILES for 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole is CC(C)c1nc2c(s1)CCOC2.
What is the InChIKey of 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole?
The InChIKey is GBIRWQGGUFLGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-6(2)9-10-7-5-11-4-3-8(7)12-9/h6H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole?
2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole has a molecular weight of 183.28 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole is sourced from PubChem (CID 122696995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).