2-butyl-5-propyl-1,3-thiazole

C10H17NS — CID 588183

IUPAC2-butyl-5-propyl-1,3-thiazole
SMILESCCCCc1ncc(CCC)s1
InChIInChI=1S/C10H17NS/c1-3-5-7-10-11-8-9(12-10)6-4-2/h8H,3-7H2,1-2H3
InChIKeySGMMMXPYWTWKDU-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.44
Rot. Bonds5

About 2-butyl-5-propyl-1,3-thiazole

2-butyl-5-propyl-1,3-thiazole (PubChem CID 588183) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-butyl-5-propyl-1,3-thiazole.

Molecular Properties

Compound Name2-butyl-5-propyl-1,3-thiazole
PubChem CID588183
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-butyl-5-propyl-1,3-thiazole
SMILESCCCCc1ncc(CCC)s1
InChIInChI=1S/C10H17NS/c1-3-5-7-10-11-8-9(12-10)6-4-2/h8H,3-7H2,1-2H3
InChIKeySGMMMXPYWTWKDU-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-propyl-1,3-thiazole?
The IUPAC name of 2-butyl-5-propyl-1,3-thiazole (CID 588183) is 2-butyl-5-propyl-1,3-thiazole.
What is the SMILES notation for 2-butyl-5-propyl-1,3-thiazole?
The canonical SMILES for 2-butyl-5-propyl-1,3-thiazole is CCCCc1ncc(CCC)s1.
What is the InChIKey of 2-butyl-5-propyl-1,3-thiazole?
The InChIKey is SGMMMXPYWTWKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-3-5-7-10-11-8-9(12-10)6-4-2/h8H,3-7H2,1-2H3.
What are the key properties of 2-butyl-5-propyl-1,3-thiazole?
2-butyl-5-propyl-1,3-thiazole has a molecular weight of 183.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-propyl-1,3-thiazole is sourced from PubChem (CID 588183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).