N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine

C11H15N3S2 — CID 112642975

IUPACN-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCNC(Cc1csc(C)n1)Cc1cncs1
InChIInChI=1S/C11H15N3S2/c1-8-14-10(6-15-8)3-9(12-2)4-11-5-13-7-16-11/h5-7,9,12H,3-4H2,1-2H3
InChIKeyMMZKAGIGWJTVDB-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.28
Rot. Bonds5

About N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine

N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine (PubChem CID 112642975) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine
PubChem CID112642975
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC NameN-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCNC(Cc1csc(C)n1)Cc1cncs1
InChIInChI=1S/C11H15N3S2/c1-8-14-10(6-15-8)3-9(12-2)4-11-5-13-7-16-11/h5-7,9,12H,3-4H2,1-2H3
InChIKeyMMZKAGIGWJTVDB-UHFFFAOYSA-N
XLogP2.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,6-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83162096
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine
CID 62799510
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 62799687
[2-(2-methyl-1,3-thiazol-4-yl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105253862
1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799514
2-hydrazinyl-N,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 105244854
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-naphthalen-2-ylpropan-2-amine
CID 105159050
[4-ethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-yl]hydrazine
CID 105214789
1-(2,4-difluorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799683
1-(3-bromophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798989
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 105373853
1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642906

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine (CID 112642975) is N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine is CNC(Cc1csc(C)n1)Cc1cncs1.
What is the InChIKey of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is MMZKAGIGWJTVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-8-14-10(6-15-8)3-9(12-2)4-11-5-13-7-16-11/h5-7,9,12H,3-4H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine?
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 253.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 112642975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).