3-methyl-5-propan-2-yl-2H-1,3-thiazole

C7H13NS — CID 166888003

IUPAC3-methyl-5-propan-2-yl-2H-1,3-thiazole
SMILESCC(C)C1=CN(C)CS1
InChIInChI=1S/C7H13NS/c1-6(2)7-4-8(3)5-9-7/h4,6H,5H2,1-3H3
InChIKeyRSLRNXCVSKABMZ-UHFFFAOYSA-N
MW143.25 g/mol
LogP2.12
Rot. Bonds1

About 3-methyl-5-propan-2-yl-2H-1,3-thiazole

3-methyl-5-propan-2-yl-2H-1,3-thiazole (PubChem CID 166888003) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-2H-1,3-thiazole
PubChem CID166888003
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name3-methyl-5-propan-2-yl-2H-1,3-thiazole
SMILESCC(C)C1=CN(C)CS1
InChIInChI=1S/C7H13NS/c1-6(2)7-4-8(3)5-9-7/h4,6H,5H2,1-3H3
InChIKeyRSLRNXCVSKABMZ-UHFFFAOYSA-N
XLogP2.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-2H-1,3-thiazole?
The IUPAC name of 3-methyl-5-propan-2-yl-2H-1,3-thiazole (CID 166888003) is 3-methyl-5-propan-2-yl-2H-1,3-thiazole.
What is the SMILES notation for 3-methyl-5-propan-2-yl-2H-1,3-thiazole?
The canonical SMILES for 3-methyl-5-propan-2-yl-2H-1,3-thiazole is CC(C)C1=CN(C)CS1.
What is the InChIKey of 3-methyl-5-propan-2-yl-2H-1,3-thiazole?
The InChIKey is RSLRNXCVSKABMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-6(2)7-4-8(3)5-9-7/h4,6H,5H2,1-3H3.
What are the key properties of 3-methyl-5-propan-2-yl-2H-1,3-thiazole?
3-methyl-5-propan-2-yl-2H-1,3-thiazole has a molecular weight of 143.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-2H-1,3-thiazole is sourced from PubChem (CID 166888003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).