2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole

C12H19NS3 — CID 103347048

IUPAC2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(C2CSC(C)C(C)S2)n1
InChIInChI=1S/C12H19NS3/c1-7(2)10-5-15-12(13-10)11-6-14-8(3)9(4)16-11/h5,7-9,11H,6H2,1-4H3
InChIKeyMNVMMMYDZZDTMM-UHFFFAOYSA-N
MW273.49 g/mol
LogP4.56
Rot. Bonds2

About 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole

2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole (PubChem CID 103347048) has the molecular formula C12H19NS3 and a molecular weight of 273.49 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole
PubChem CID103347048
Molecular FormulaC12H19NS3
Molecular Weight273.49 g/mol
Exact Mass273.07
IUPAC Name2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(C2CSC(C)C(C)S2)n1
InChIInChI=1S/C12H19NS3/c1-7(2)10-5-15-12(13-10)11-6-14-8(3)9(4)16-11/h5,7-9,11H,6H2,1-4H3
InChIKeyMNVMMMYDZZDTMM-UHFFFAOYSA-N
XLogP4.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole (CID 103347048) is 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole is CC(C)c1csc(C2CSC(C)C(C)S2)n1.
What is the InChIKey of 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole?
The InChIKey is MNVMMMYDZZDTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS3/c1-7(2)10-5-15-12(13-10)11-6-14-8(3)9(4)16-11/h5,7-9,11H,6H2,1-4H3.
What are the key properties of 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole?
2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole has a molecular weight of 273.49 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 103347048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).