1-(2,5-dichlorothiophen-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine

C12H14Cl2N2S2 — CID 113261082

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCc1csc(C(C)NC(C)c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C12H14Cl2N2S2/c1-6-5-17-12(15-6)8(3)16-7(2)9-4-10(13)18-11(9)14/h4-5,7-8,16H,1-3H3
InChIKeyFYYHYXJMMVNCFB-UHFFFAOYSA-N
MW321.30 g/mol
LogP5.23
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine

1-(2,5-dichlorothiophen-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine (PubChem CID 113261082) has the molecular formula C12H14Cl2N2S2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
PubChem CID113261082
Molecular FormulaC12H14Cl2N2S2
Molecular Weight321.30 g/mol
Exact Mass320.00
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCc1csc(C(C)NC(C)c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C12H14Cl2N2S2/c1-6-5-17-12(15-6)8(3)16-7(2)9-4-10(13)18-11(9)14/h4-5,7-8,16H,1-3H3
InChIKeyFYYHYXJMMVNCFB-UHFFFAOYSA-N
XLogP5.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.30
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767901
2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 103756779
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 79427265
4-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-nitroaniline
CID 63091422
4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
CID 115355155
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
CID 73012335
N-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096277
6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80942180
5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 106811993
2,4-dimethyl-5-[1-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]-1H-pyrimidin-6-one
CID 135992610

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine (CID 113261082) is 1-(2,5-dichlorothiophen-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine is Cc1csc(C(C)NC(C)c2cc(Cl)sc2Cl)n1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The InChIKey is FYYHYXJMMVNCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2S2/c1-6-5-17-12(15-6)8(3)16-7(2)9-4-10(13)18-11(9)14/h4-5,7-8,16H,1-3H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
1-(2,5-dichlorothiophen-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine has a molecular weight of 321.30 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 113261082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).