1-(3-ethylimidazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine

C13H21N5S — CID 66133065

IUPAC1-(3-ethylimidazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCCn1cncc1C(CN)N(C)Cc1scnc1C
InChIInChI=1S/C13H21N5S/c1-4-18-8-15-6-12(18)11(5-14)17(3)7-13-10(2)16-9-19-13/h6,8-9,11H,4-5,7,14H2,1-3H3
InChIKeyFJKVAJRXBLXTNC-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.80
Rot. Bonds6

About 1-(3-ethylimidazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine

1-(3-ethylimidazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 66133065) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-(3-ethylimidazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-ethylimidazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID66133065
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name1-(3-ethylimidazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCCn1cncc1C(CN)N(C)Cc1scnc1C
InChIInChI=1S/C13H21N5S/c1-4-18-8-15-6-12(18)11(5-14)17(3)7-13-10(2)16-9-19-13/h6,8-9,11H,4-5,7,14H2,1-3H3
InChIKeyFJKVAJRXBLXTNC-UHFFFAOYSA-N
XLogP1.80
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine
CID 63843483
N-[(5-bromothiophen-3-yl)methyl]-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66135324
1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 66135725
N-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66134914
1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63843819
N-methyl-1-(4-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63844009
1-(2-bromophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 55259223
N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66134488
1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine
CID 66133269
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130408
N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66129797
4,4-dimethoxy-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 66268814

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylimidazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(3-ethylimidazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine (CID 66133065) is 1-(3-ethylimidazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(3-ethylimidazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(3-ethylimidazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine is CCn1cncc1C(CN)N(C)Cc1scnc1C.
What is the InChIKey of 1-(3-ethylimidazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is FJKVAJRXBLXTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-4-18-8-15-6-12(18)11(5-14)17(3)7-13-10(2)16-9-19-13/h6,8-9,11H,4-5,7,14H2,1-3H3.
What are the key properties of 1-(3-ethylimidazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
1-(3-ethylimidazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 279.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylimidazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 66133065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).