2-propan-2-yl-4-propan-2-ylidene-5-propylidene-1,3-thiazole

C12H19NS — CID 123865813

IUPAC2-propan-2-yl-4-propan-2-ylidene-5-propylidene-1,3-thiazole
SMILESCCC=c1sc(C(C)C)nc1=C(C)C
InChIInChI=1S/C12H19NS/c1-6-7-10-11(8(2)3)13-12(14-10)9(4)5/h7,9H,6H2,1-5H3
InChIKeyVSYGUFKQTFDLDD-UHFFFAOYSA-N
MW209.36 g/mol
LogP2.65
Rot. Bonds2

About 2-propan-2-yl-4-propan-2-ylidene-5-propylidene-1,3-thiazole

2-propan-2-yl-4-propan-2-ylidene-5-propylidene-1,3-thiazole (PubChem CID 123865813) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2-propan-2-yl-4-propan-2-ylidene-5-propylidene-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-yl-4-propan-2-ylidene-5-propylidene-1,3-thiazole
PubChem CID123865813
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2-propan-2-yl-4-propan-2-ylidene-5-propylidene-1,3-thiazole
SMILESCCC=c1sc(C(C)C)nc1=C(C)C
InChIInChI=1S/C12H19NS/c1-6-7-10-11(8(2)3)13-12(14-10)9(4)5/h7,9H,6H2,1-5H3
InChIKeyVSYGUFKQTFDLDD-UHFFFAOYSA-N
XLogP2.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-propan-2-ylidene-5-propylidene-1,3-thiazole?
The IUPAC name of 2-propan-2-yl-4-propan-2-ylidene-5-propylidene-1,3-thiazole (CID 123865813) is 2-propan-2-yl-4-propan-2-ylidene-5-propylidene-1,3-thiazole.
What is the SMILES notation for 2-propan-2-yl-4-propan-2-ylidene-5-propylidene-1,3-thiazole?
The canonical SMILES for 2-propan-2-yl-4-propan-2-ylidene-5-propylidene-1,3-thiazole is CCC=c1sc(C(C)C)nc1=C(C)C.
What is the InChIKey of 2-propan-2-yl-4-propan-2-ylidene-5-propylidene-1,3-thiazole?
The InChIKey is VSYGUFKQTFDLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-6-7-10-11(8(2)3)13-12(14-10)9(4)5/h7,9H,6H2,1-5H3.
What are the key properties of 2-propan-2-yl-4-propan-2-ylidene-5-propylidene-1,3-thiazole?
2-propan-2-yl-4-propan-2-ylidene-5-propylidene-1,3-thiazole has a molecular weight of 209.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-propan-2-ylidene-5-propylidene-1,3-thiazole is sourced from PubChem (CID 123865813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).