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

C12H20N2S2 — CID 115090699

IUPACN-methyl-1-[2-(thian-2-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCNC(C)Cc1cnc(C2CCCCS2)s1
InChIInChI=1S/C12H20N2S2/c1-9(13-2)7-10-8-14-12(16-10)11-5-3-4-6-15-11/h8-9,11,13H,3-7H2,1-2H3
InChIKeyLICUPLWBVRETMZ-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.25
Rot. Bonds4

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

N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 115090699) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(thian-2-yl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID115090699
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC NameN-methyl-1-[2-(thian-2-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCNC(C)Cc1cnc(C2CCCCS2)s1
InChIInChI=1S/C12H20N2S2/c1-9(13-2)7-10-8-14-12(16-10)11-5-3-4-6-15-11/h8-9,11,13H,3-7H2,1-2H3
InChIKeyLICUPLWBVRETMZ-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115089837
N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115089845
1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
CID 115089834
1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one
CID 115090502
N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 115090839
1-(2-cyclohexyl-1,3-thiazol-5-yl)propan-2-ol
CID 115091994
2-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090515
N-methyl-1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115090863
1-(2-cyclopentyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 61281926
N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 80627617
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 64984724
N-[[4-(2-methylpropyl)-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369110

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-5-yl]propan-2-amine (CID 115090699) is N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-5-yl]propan-2-amine is CNC(C)Cc1cnc(C2CCCCS2)s1.
What is the InChIKey of N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is LICUPLWBVRETMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-9(13-2)7-10-8-14-12(16-10)11-5-3-4-6-15-11/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 256.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 115090699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).