4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazole

C8H13NS — CID 58337012

IUPAC4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazole
SMILESC=C1SC=C(C)N1C(C)C
InChIInChI=1S/C8H13NS/c1-6(2)9-7(3)5-10-8(9)4/h5-6H,4H2,1-3H3
InChIKeyPFFWGCHXLOOHKB-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.78
Rot. Bonds1

About 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazole

4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazole (PubChem CID 58337012) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazole
PubChem CID58337012
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazole
SMILESC=C1SC=C(C)N1C(C)C
InChIInChI=1S/C8H13NS/c1-6(2)9-7(3)5-10-8(9)4/h5-6H,4H2,1-3H3
InChIKeyPFFWGCHXLOOHKB-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazole (CID 58337012) is 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazole is C=C1SC=C(C)N1C(C)C.
What is the InChIKey of 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazole?
The InChIKey is PFFWGCHXLOOHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6(2)9-7(3)5-10-8(9)4/h5-6H,4H2,1-3H3.
What are the key properties of 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazole?
4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidene-3-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 58337012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).