1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine

C11H16N4S — CID 118785908

IUPAC1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCc1nc(CN(C)Cc2nccs2)[nH]c1C
InChIInChI=1S/C11H16N4S/c1-8-9(2)14-10(13-8)6-15(3)7-11-12-4-5-16-11/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyFYUKMURDJKRXGJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.12
Rot. Bonds4

About 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine

1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 118785908) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID118785908
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCc1nc(CN(C)Cc2nccs2)[nH]c1C
InChIInChI=1S/C11H16N4S/c1-8-9(2)14-10(13-8)6-15(3)7-11-12-4-5-16-11/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyFYUKMURDJKRXGJ-UHFFFAOYSA-N
XLogP2.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1H-Imidazol-4-yl)-ethyl]-thiazol-2-yl-amine
CID 10081340
5-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
CID 10583936
2-[3-(1H-imidazol-5-yl)propyl]-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine
CID 13499367
2-[3-(1H-imidazol-5-yl)propyl]-1-[3-(1,3-thiazol-2-yl)propyl]guanidine;trihydrochloride
CID 13499372
2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride
CID 45265236
N-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 71986332
5-(1,3-thiazol-2-yl)-1H-imidazol-4-amine;hydrochloride
CID 172455369
2-(1H-imidazol-4-yl)-1,3-thiazole
CID 53773131
2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 72147342
N~3~-methyl-N~3~-[(4-methyl-1H-imidazol-2-yl)methyl]-N~1~-1,3-thiazol-2-yl-beta-alaninamide
CID 91832266
2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole
CID 95209830
(1H-imidazol-2-ylmethyl)methyl(1,3-thiazol-4-ylmethyl)amine
CID 124204693

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 118785908) is 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine is Cc1nc(CN(C)Cc2nccs2)[nH]c1C.
What is the InChIKey of 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is FYUKMURDJKRXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-8-9(2)14-10(13-8)6-15(3)7-11-12-4-5-16-11/h4-5H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 236.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 118785908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).