2-methyl-3-propyl-2H-1,3-thiazole

C7H13NS — CID 22419292

IUPAC2-methyl-3-propyl-2H-1,3-thiazole
SMILESCCCN1C=CSC1C
InChIInChI=1S/C7H13NS/c1-3-4-8-5-6-9-7(8)2/h5-7H,3-4H2,1-2H3
InChIKeyAKGZGGIEWNCCSA-UHFFFAOYSA-N
MW143.25 g/mol
LogP2.26
Rot. Bonds2

About 2-methyl-3-propyl-2H-1,3-thiazole

2-methyl-3-propyl-2H-1,3-thiazole (PubChem CID 22419292) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2-methyl-3-propyl-2H-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-3-propyl-2H-1,3-thiazole
PubChem CID22419292
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2-methyl-3-propyl-2H-1,3-thiazole
SMILESCCCN1C=CSC1C
InChIInChI=1S/C7H13NS/c1-3-4-8-5-6-9-7(8)2/h5-7H,3-4H2,1-2H3
InChIKeyAKGZGGIEWNCCSA-UHFFFAOYSA-N
XLogP2.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propyl-2H-1,3-thiazole?
The IUPAC name of 2-methyl-3-propyl-2H-1,3-thiazole (CID 22419292) is 2-methyl-3-propyl-2H-1,3-thiazole.
What is the SMILES notation for 2-methyl-3-propyl-2H-1,3-thiazole?
The canonical SMILES for 2-methyl-3-propyl-2H-1,3-thiazole is CCCN1C=CSC1C.
What is the InChIKey of 2-methyl-3-propyl-2H-1,3-thiazole?
The InChIKey is AKGZGGIEWNCCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-3-4-8-5-6-9-7(8)2/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-methyl-3-propyl-2H-1,3-thiazole?
2-methyl-3-propyl-2H-1,3-thiazole has a molecular weight of 143.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propyl-2H-1,3-thiazole is sourced from PubChem (CID 22419292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).