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

C12H20N2S2 — CID 105169149

IUPACN-methyl-1-(thian-4-yl)-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(Cc1nccs1)CC1CCSCC1
InChIInChI=1S/C12H20N2S2/c1-13-11(9-12-14-4-7-16-12)8-10-2-5-15-6-3-10/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3
InChIKeyDKRRIJQLBBCPOH-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.81
Rot. Bonds5

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

N-methyl-1-(thian-4-yl)-3-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 105169149) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is N-methyl-1-(thian-4-yl)-3-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(thian-4-yl)-3-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID105169149
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC NameN-methyl-1-(thian-4-yl)-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(Cc1nccs1)CC1CCSCC1
InChIInChI=1S/C12H20N2S2/c1-13-11(9-12-14-4-7-16-12)8-10-2-5-15-6-3-10/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3
InChIKeyDKRRIJQLBBCPOH-UHFFFAOYSA-N
XLogP2.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol
CID 20699494
N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105137524
1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105085436
1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105138955
N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 79824583
N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015264
N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105014941
2-(2-bromo-2-cyclopropylethyl)-1,3-thiazole
CID 63353715
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105157056
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105133234
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014878
N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine
CID 102840644

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(thian-4-yl)-3-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(thian-4-yl)-3-(1,3-thiazol-2-yl)propan-2-amine (CID 105169149) is N-methyl-1-(thian-4-yl)-3-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(thian-4-yl)-3-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(thian-4-yl)-3-(1,3-thiazol-2-yl)propan-2-amine is CNC(Cc1nccs1)CC1CCSCC1.
What is the InChIKey of N-methyl-1-(thian-4-yl)-3-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is DKRRIJQLBBCPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-13-11(9-12-14-4-7-16-12)8-10-2-5-15-6-3-10/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-methyl-1-(thian-4-yl)-3-(1,3-thiazol-2-yl)propan-2-amine?
N-methyl-1-(thian-4-yl)-3-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 256.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(thian-4-yl)-3-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 105169149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).