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

C7H11NS — CID 574547

IUPAC2-methyl-5-propyl-1,3-thiazole
SMILESCCCc1cnc(C)s1
InChIInChI=1S/C7H11NS/c1-3-4-7-5-8-6(2)9-7/h5H,3-4H2,1-2H3
InChIKeyFAYMHHGWOJBXAQ-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.40
Rot. Bonds2

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

2-methyl-5-propyl-1,3-thiazole (PubChem CID 574547) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-methyl-5-propyl-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-propyl-1,3-thiazole
PubChem CID574547
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-methyl-5-propyl-1,3-thiazole
SMILESCCCc1cnc(C)s1
InChIInChI=1S/C7H11NS/c1-3-4-7-5-8-6(2)9-7/h5H,3-4H2,1-2H3
InChIKeyFAYMHHGWOJBXAQ-UHFFFAOYSA-N
XLogP2.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyl-1,3-thiazole?
The IUPAC name of 2-methyl-5-propyl-1,3-thiazole (CID 574547) is 2-methyl-5-propyl-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-propyl-1,3-thiazole?
The canonical SMILES for 2-methyl-5-propyl-1,3-thiazole is CCCc1cnc(C)s1.
What is the InChIKey of 2-methyl-5-propyl-1,3-thiazole?
The InChIKey is FAYMHHGWOJBXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-4-7-5-8-6(2)9-7/h5H,3-4H2,1-2H3.
What are the key properties of 2-methyl-5-propyl-1,3-thiazole?
2-methyl-5-propyl-1,3-thiazole has a molecular weight of 141.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyl-1,3-thiazole is sourced from PubChem (CID 574547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).