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

C7H12N2S — CID 112642809

IUPACN-methyl-1-(1,3-thiazol-5-yl)propan-2-amine
SMILESCNC(C)Cc1cncs1
InChIInChI=1S/C7H12N2S/c1-6(8-2)3-7-4-9-5-10-7/h4-6,8H,3H2,1-2H3
InChIKeyGOMNYPVBRVNADR-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.29
Rot. Bonds3

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

N-methyl-1-(1,3-thiazol-5-yl)propan-2-amine (PubChem CID 112642809) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is N-methyl-1-(1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1,3-thiazol-5-yl)propan-2-amine
PubChem CID112642809
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC NameN-methyl-1-(1,3-thiazol-5-yl)propan-2-amine
SMILESCNC(C)Cc1cncs1
InChIInChI=1S/C7H12N2S/c1-6(8-2)3-7-4-9-5-10-7/h4-6,8H,3H2,1-2H3
InChIKeyGOMNYPVBRVNADR-UHFFFAOYSA-N
XLogP1.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(1,3-thiazol-5-yl)propan-2-amine (CID 112642809) is N-methyl-1-(1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(1,3-thiazol-5-yl)propan-2-amine is CNC(C)Cc1cncs1.
What is the InChIKey of N-methyl-1-(1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is GOMNYPVBRVNADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-6(8-2)3-7-4-9-5-10-7/h4-6,8H,3H2,1-2H3.
What are the key properties of N-methyl-1-(1,3-thiazol-5-yl)propan-2-amine?
N-methyl-1-(1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 156.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 112642809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).