3-methyl-N-(2-methylpropyl)-1,2-thiazol-5-amine

C8H14N2S — CID 5061315

IUPAC3-methyl-N-(2-methylpropyl)-1,2-thiazol-5-amine
SMILESCc1cc(NCC(C)C)sn1
InChIInChI=1S/C8H14N2S/c1-6(2)5-9-8-4-7(3)10-11-8/h4,6,9H,5H2,1-3H3
InChIKeyUDFQKTJAEZKMDR-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.52
Rot. Bonds3

About 3-methyl-N-(2-methylpropyl)-1,2-thiazol-5-amine

3-methyl-N-(2-methylpropyl)-1,2-thiazol-5-amine (PubChem CID 5061315) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-1,2-thiazol-5-amine
PubChem CID5061315
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name3-methyl-N-(2-methylpropyl)-1,2-thiazol-5-amine
SMILESCc1cc(NCC(C)C)sn1
InChIInChI=1S/C8H14N2S/c1-6(2)5-9-8-4-7(3)10-11-8/h4,6,9H,5H2,1-3H3
InChIKeyUDFQKTJAEZKMDR-UHFFFAOYSA-N
XLogP2.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-1,2-thiazol-5-amine (CID 5061315) is 3-methyl-N-(2-methylpropyl)-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-1,2-thiazol-5-amine is Cc1cc(NCC(C)C)sn1.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-1,2-thiazol-5-amine?
The InChIKey is UDFQKTJAEZKMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6(2)5-9-8-4-7(3)10-11-8/h4,6,9H,5H2,1-3H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)-1,2-thiazol-5-amine?
3-methyl-N-(2-methylpropyl)-1,2-thiazol-5-amine has a molecular weight of 170.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-1,2-thiazol-5-amine is sourced from PubChem (CID 5061315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).