N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine

C12H17N3S2 — CID 62760162

IUPACN,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)C(CNCc1cncs1)c1cccs1
InChIInChI=1S/C12H17N3S2/c1-15(2)11(12-4-3-5-16-12)8-13-6-10-7-14-9-17-10/h3-5,7,9,11,13H,6,8H2,1-2H3
InChIKeyKACSRMGOAAVAJG-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.60
Rot. Bonds6

About N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine

N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 62760162) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID62760162
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC NameN,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)C(CNCc1cncs1)c1cccs1
InChIInChI=1S/C12H17N3S2/c1-15(2)11(12-4-3-5-16-12)8-13-6-10-7-14-9-17-10/h3-5,7,9,11,13H,6,8H2,1-2H3
InChIKeyKACSRMGOAAVAJG-UHFFFAOYSA-N
XLogP2.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-N'-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55208645
N'-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79420563
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 43182619
2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)butane-1,2-diamine
CID 115732191
4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol
CID 43182622
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79578963
3-chloro-2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]phenol
CID 78959189
(1S)-N,N-dimethyl-1-thiophen-2-yl-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 94514889
N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 80701630
N'-[(2,4-difluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43182595
N'-(1,3-benzodioxol-4-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43583717
N,N-dimethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine;hydrochloride
CID 47052244

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine (CID 62760162) is N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine is CN(C)C(CNCc1cncs1)c1cccs1.
What is the InChIKey of N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is KACSRMGOAAVAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-15(2)11(12-4-3-5-16-12)8-13-6-10-7-14-9-17-10/h3-5,7,9,11,13H,6,8H2,1-2H3.
What are the key properties of N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine?
N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 267.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 62760162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).