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

C7H11NS — CID 143329502

IUPAC4-methyl-3-propyl-1,2-thiazole
SMILESCCCc1nscc1C
InChIInChI=1S/C7H11NS/c1-3-4-7-6(2)5-9-8-7/h5H,3-4H2,1-2H3
InChIKeyBVHOSQMJFALKRR-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.40
Rot. Bonds2

About 4-methyl-3-propyl-1,2-thiazole

4-methyl-3-propyl-1,2-thiazole (PubChem CID 143329502) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 4-methyl-3-propyl-1,2-thiazole.

Molecular Properties

Compound Name4-methyl-3-propyl-1,2-thiazole
PubChem CID143329502
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name4-methyl-3-propyl-1,2-thiazole
SMILESCCCc1nscc1C
InChIInChI=1S/C7H11NS/c1-3-4-7-6(2)5-9-8-7/h5H,3-4H2,1-2H3
InChIKeyBVHOSQMJFALKRR-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 4-methyl-3-propyl-1,2-thiazole?
The IUPAC name of 4-methyl-3-propyl-1,2-thiazole (CID 143329502) is 4-methyl-3-propyl-1,2-thiazole.
What is the SMILES notation for 4-methyl-3-propyl-1,2-thiazole?
The canonical SMILES for 4-methyl-3-propyl-1,2-thiazole is CCCc1nscc1C.
What is the InChIKey of 4-methyl-3-propyl-1,2-thiazole?
The InChIKey is BVHOSQMJFALKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-4-7-6(2)5-9-8-7/h5H,3-4H2,1-2H3.
What are the key properties of 4-methyl-3-propyl-1,2-thiazole?
4-methyl-3-propyl-1,2-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 4-methyl-3-propyl-1,2-thiazole is sourced from PubChem (CID 143329502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).