2-[(E)-4-methylpent-1-enyl]-5-propan-2-yl-1,3-thiazole

C12H19NS — CID 58350166

IUPAC2-[(E)-4-methylpent-1-enyl]-5-propan-2-yl-1,3-thiazole
SMILESCC(C)C/C=C/c1ncc(C(C)C)s1
InChIInChI=1S/C12H19NS/c1-9(2)6-5-7-12-13-8-11(14-12)10(3)4/h5,7-10H,6H2,1-4H3/b7-5+
InChIKeyRCABFPVNPRZCFG-FNORWQNLSA-N
MW209.36 g/mol
LogP4.33
Rot. Bonds4

About 2-[(E)-4-methylpent-1-enyl]-5-propan-2-yl-1,3-thiazole

2-[(E)-4-methylpent-1-enyl]-5-propan-2-yl-1,3-thiazole (PubChem CID 58350166) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2-[(E)-4-methylpent-1-enyl]-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[(E)-4-methylpent-1-enyl]-5-propan-2-yl-1,3-thiazole
PubChem CID58350166
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2-[(E)-4-methylpent-1-enyl]-5-propan-2-yl-1,3-thiazole
SMILESCC(C)C/C=C/c1ncc(C(C)C)s1
InChIInChI=1S/C12H19NS/c1-9(2)6-5-7-12-13-8-11(14-12)10(3)4/h5,7-10H,6H2,1-4H3/b7-5+
InChIKeyRCABFPVNPRZCFG-FNORWQNLSA-N
XLogP4.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-methylpent-1-enyl]-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[(E)-4-methylpent-1-enyl]-5-propan-2-yl-1,3-thiazole (CID 58350166) is 2-[(E)-4-methylpent-1-enyl]-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[(E)-4-methylpent-1-enyl]-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[(E)-4-methylpent-1-enyl]-5-propan-2-yl-1,3-thiazole is CC(C)C/C=C/c1ncc(C(C)C)s1.
What is the InChIKey of 2-[(E)-4-methylpent-1-enyl]-5-propan-2-yl-1,3-thiazole?
The InChIKey is RCABFPVNPRZCFG-FNORWQNLSA-N. The full InChI is InChI=1S/C12H19NS/c1-9(2)6-5-7-12-13-8-11(14-12)10(3)4/h5,7-10H,6H2,1-4H3/b7-5+.
What are the key properties of 2-[(E)-4-methylpent-1-enyl]-5-propan-2-yl-1,3-thiazole?
2-[(E)-4-methylpent-1-enyl]-5-propan-2-yl-1,3-thiazole has a molecular weight of 209.36 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-methylpent-1-enyl]-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 58350166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).