5-(5-chloro-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine

C11H11ClN4S2 — CID 107126061

IUPAC5-(5-chloro-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ncc(Cl)s2)N1Cc1cccs1
InChIInChI=1S/C11H11ClN4S2/c12-9-5-14-10(18-9)8-4-15-11(13)16(8)6-7-2-1-3-17-7/h1-3,5,8H,4,6H2,(H2,13,15)
InChIKeyHUYIYPRXOGGYOI-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.73
Rot. Bonds3

About 5-(5-chloro-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine

5-(5-chloro-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 107126061) has the molecular formula C11H11ClN4S2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 5-(5-chloro-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(5-chloro-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID107126061
Molecular FormulaC11H11ClN4S2
Molecular Weight298.82 g/mol
Exact Mass298.01
IUPAC Name5-(5-chloro-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ncc(Cl)s2)N1Cc1cccs1
InChIInChI=1S/C11H11ClN4S2/c12-9-5-14-10(18-9)8-4-15-11(13)16(8)6-7-2-1-3-17-7/h1-3,5,8H,4,6H2,(H2,13,15)
InChIKeyHUYIYPRXOGGYOI-UHFFFAOYSA-N
XLogP2.73
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-chlorophenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79521478
5-(5-methylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79520613
5-(4-methyl-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 113451548
5-(5-ethylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79520692
5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 102845822
1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine
CID 79506524
5-(4-methoxy-3-methylphenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79501012
5-(5-chloro-1,3-thiazol-2-yl)-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 107126041
5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
CID 79521396
5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 79521836
4-[1,3-bis(thiophen-2-ylmethyl)imidazolidin-2-yl]-N,N-dimethylaniline
CID 11760772
3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine
CID 63388749

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(5-chloro-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine (CID 107126061) is 5-(5-chloro-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(5-chloro-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(5-chloro-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ncc(Cl)s2)N1Cc1cccs1.
What is the InChIKey of 5-(5-chloro-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is HUYIYPRXOGGYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4S2/c12-9-5-14-10(18-9)8-4-15-11(13)16(8)6-7-2-1-3-17-7/h1-3,5,8H,4,6H2,(H2,13,15).
What are the key properties of 5-(5-chloro-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
5-(5-chloro-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 298.82 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 107126061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).