3-methyl-N-propan-2-yl-1,2-thiazol-5-amine

C7H12N2S — CID 23518746

IUPAC3-methyl-N-propan-2-yl-1,2-thiazol-5-amine
SMILESCc1cc(NC(C)C)sn1
InChIInChI=1S/C7H12N2S/c1-5(2)8-7-4-6(3)9-10-7/h4-5,8H,1-3H3
InChIKeyPSPXUTIZFQADRN-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.27
Rot. Bonds2

About 3-methyl-N-propan-2-yl-1,2-thiazol-5-amine

3-methyl-N-propan-2-yl-1,2-thiazol-5-amine (PubChem CID 23518746) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-1,2-thiazol-5-amine
PubChem CID23518746
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name3-methyl-N-propan-2-yl-1,2-thiazol-5-amine
SMILESCc1cc(NC(C)C)sn1
InChIInChI=1S/C7H12N2S/c1-5(2)8-7-4-6(3)9-10-7/h4-5,8H,1-3H3
InChIKeyPSPXUTIZFQADRN-UHFFFAOYSA-N
XLogP2.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-N-propan-2-yl-1,2-thiazol-5-amine (CID 23518746) is 3-methyl-N-propan-2-yl-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-N-propan-2-yl-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-N-propan-2-yl-1,2-thiazol-5-amine is Cc1cc(NC(C)C)sn1.
What is the InChIKey of 3-methyl-N-propan-2-yl-1,2-thiazol-5-amine?
The InChIKey is PSPXUTIZFQADRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5(2)8-7-4-6(3)9-10-7/h4-5,8H,1-3H3.
What are the key properties of 3-methyl-N-propan-2-yl-1,2-thiazol-5-amine?
3-methyl-N-propan-2-yl-1,2-thiazol-5-amine has a molecular weight of 156.25 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 3-methyl-N-propan-2-yl-1,2-thiazol-5-amine is sourced from PubChem (CID 23518746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).