5-(2-methylpropyl)-1,3-thiazole

C7H11NS — CID 21062115

IUPAC5-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1cncs1
InChIInChI=1S/C7H11NS/c1-6(2)3-7-4-8-5-9-7/h4-6H,3H2,1-2H3
InChIKeyHGSMSUKMTHXJCL-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.34
Rot. Bonds2

About 5-(2-methylpropyl)-1,3-thiazole

5-(2-methylpropyl)-1,3-thiazole (PubChem CID 21062115) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-1,3-thiazole
PubChem CID21062115
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name5-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1cncs1
InChIInChI=1S/C7H11NS/c1-6(2)3-7-4-8-5-9-7/h4-6H,3H2,1-2H3
InChIKeyHGSMSUKMTHXJCL-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 5-(2-methylpropyl)-1,3-thiazole (CID 21062115) is 5-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 5-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 5-(2-methylpropyl)-1,3-thiazole is CC(C)Cc1cncs1.
What is the InChIKey of 5-(2-methylpropyl)-1,3-thiazole?
The InChIKey is HGSMSUKMTHXJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-6(2)3-7-4-8-5-9-7/h4-6H,3H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-1,3-thiazole?
5-(2-methylpropyl)-1,3-thiazole has a molecular weight of 141.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 21062115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).