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

C14H22N4S2 — CID 82430456

IUPAC4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc(CN(CC)CC)sc1-c1csc(NC)n1
InChIInChI=1S/C14H22N4S2/c1-5-10-13(11-9-19-14(15-4)17-11)20-12(16-10)8-18(6-2)7-3/h9H,5-8H2,1-4H3,(H,15,17)
InChIKeyFBXQIGWGFHHPQB-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.71
Rot. Bonds7

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

4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 82430456) has the molecular formula C14H22N4S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
PubChem CID82430456
Molecular FormulaC14H22N4S2
Molecular Weight310.49 g/mol
Exact Mass310.13
IUPAC Name4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc(CN(CC)CC)sc1-c1csc(NC)n1
InChIInChI=1S/C14H22N4S2/c1-5-10-13(11-9-19-14(15-4)17-11)20-12(16-10)8-18(6-2)7-3/h9H,5-8H2,1-4H3,(H,15,17)
InChIKeyFBXQIGWGFHHPQB-UHFFFAOYSA-N
XLogP3.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82439363
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82429537
N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82434613
4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82515628
4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine
CID 82424663
N-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82428283
N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82426558
N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine
CID 82430445
4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82429231
4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82439938
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82429533
4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine
CID 82438273

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine (CID 82430456) is 4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine is CCc1nc(CN(CC)CC)sc1-c1csc(NC)n1.
What is the InChIKey of 4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is FBXQIGWGFHHPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S2/c1-5-10-13(11-9-19-14(15-4)17-11)20-12(16-10)8-18(6-2)7-3/h9H,5-8H2,1-4H3,(H,15,17).
What are the key properties of 4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine?
4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 310.49 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82430456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).