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

C6H11NS — CID 54072042

IUPAC3-propyl-2H-1,3-thiazole
SMILESCCCN1C=CSC1
InChIInChI=1S/C6H11NS/c1-2-3-7-4-5-8-6-7/h4-5H,2-3,6H2,1H3
InChIKeyDHBXKXMPXBEMHX-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.87
Rot. Bonds2

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

3-propyl-2H-1,3-thiazole (PubChem CID 54072042) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 3-propyl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-propyl-2H-1,3-thiazole
PubChem CID54072042
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name3-propyl-2H-1,3-thiazole
SMILESCCCN1C=CSC1
InChIInChI=1S/C6H11NS/c1-2-3-7-4-5-8-6-7/h4-5H,2-3,6H2,1H3
InChIKeyDHBXKXMPXBEMHX-UHFFFAOYSA-N
XLogP1.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-2H-1,3-thiazole?
The IUPAC name of 3-propyl-2H-1,3-thiazole (CID 54072042) is 3-propyl-2H-1,3-thiazole.
What is the SMILES notation for 3-propyl-2H-1,3-thiazole?
The canonical SMILES for 3-propyl-2H-1,3-thiazole is CCCN1C=CSC1.
What is the InChIKey of 3-propyl-2H-1,3-thiazole?
The InChIKey is DHBXKXMPXBEMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-2-3-7-4-5-8-6-7/h4-5H,2-3,6H2,1H3.
What are the key properties of 3-propyl-2H-1,3-thiazole?
3-propyl-2H-1,3-thiazole has a molecular weight of 129.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2H-1,3-thiazole is sourced from PubChem (CID 54072042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).