4-methyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine

C8H12N2S — CID 62396960

IUPAC4-methyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine
SMILESCc1csc(NC2CC2C)n1
InChIInChI=1S/C8H12N2S/c1-5-3-7(5)10-8-9-6(2)4-11-8/h4-5,7H,3H2,1-2H3,(H,9,10)
InChIKeyKOMIYXTZELFJRT-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.27
Rot. Bonds2

About 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine

4-methyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine (PubChem CID 62396960) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine
PubChem CID62396960
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name4-methyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine
SMILESCc1csc(NC2CC2C)n1
InChIInChI=1S/C8H12N2S/c1-5-3-7(5)10-8-9-6(2)4-11-8/h4-5,7H,3H2,1-2H3,(H,9,10)
InChIKeyKOMIYXTZELFJRT-UHFFFAOYSA-N
XLogP2.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine (CID 62396960) is 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine is Cc1csc(NC2CC2C)n1.
What is the InChIKey of 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine?
The InChIKey is KOMIYXTZELFJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-5-3-7(5)10-8-9-6(2)4-11-8/h4-5,7H,3H2,1-2H3,(H,9,10).
What are the key properties of 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine?
4-methyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine has a molecular weight of 168.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62396960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).