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

C12H14N4S2 — CID 113451548

IUPAC5-(4-methyl-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCc1csc(C2CN=C(N)N2Cc2cccs2)n1
InChIInChI=1S/C12H14N4S2/c1-8-7-18-11(15-8)10-5-14-12(13)16(10)6-9-3-2-4-17-9/h2-4,7,10H,5-6H2,1H3,(H2,13,14)
InChIKeyVWROOQFAQOFBOJ-UHFFFAOYSA-N
MW278.41 g/mol
LogP2.38
Rot. Bonds3

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

5-(4-methyl-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 113451548) has the molecular formula C12H14N4S2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 5-(4-methyl-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-methyl-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID113451548
Molecular FormulaC12H14N4S2
Molecular Weight278.41 g/mol
Exact Mass278.07
IUPAC Name5-(4-methyl-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCc1csc(C2CN=C(N)N2Cc2cccs2)n1
InChIInChI=1S/C12H14N4S2/c1-8-7-18-11(15-8)10-5-14-12(13)16(10)6-9-3-2-4-17-9/h2-4,7,10H,5-6H2,1H3,(H2,13,14)
InChIKeyVWROOQFAQOFBOJ-UHFFFAOYSA-N
XLogP2.38
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-methylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79520613
5-(5-chloro-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 107126061
5-(5-ethylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79520692
5-(2-chlorophenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79521478
5-(4-methoxy-3-methylphenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79501012
5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 102845822
1-(2-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine
CID 104772272
1-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine
CID 104772259
1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine
CID 79506524
4-methyl-1-(thiophen-2-ylmethyl)imidazol-2-amine
CID 106561413
5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
CID 79521396
1-(oxolan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine
CID 79505643

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-methyl-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine (CID 113451548) is 5-(4-methyl-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-methyl-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-methyl-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine is Cc1csc(C2CN=C(N)N2Cc2cccs2)n1.
What is the InChIKey of 5-(4-methyl-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is VWROOQFAQOFBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S2/c1-8-7-18-11(15-8)10-5-14-12(13)16(10)6-9-3-2-4-17-9/h2-4,7,10H,5-6H2,1H3,(H2,13,14).
What are the key properties of 5-(4-methyl-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
5-(4-methyl-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 278.41 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1,3-thiazol-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 113451548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).