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

C13H20N4S2 — CID 82424663

IUPAC4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cnc(CN(CC)CC)s2)cs1
InChIInChI=1S/C13H20N4S2/c1-4-14-13-16-10(9-18-13)11-7-15-12(19-11)8-17(5-2)6-3/h7,9H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyYGURVHPJCGFXBA-UHFFFAOYSA-N
MW296.47 g/mol
LogP3.54
Rot. Bonds7

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

4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine (PubChem CID 82424663) has the molecular formula C13H20N4S2 and a molecular weight of 296.47 g/mol. Its IUPAC name is 4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine
PubChem CID82424663
Molecular FormulaC13H20N4S2
Molecular Weight296.47 g/mol
Exact Mass296.11
IUPAC Name4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cnc(CN(CC)CC)s2)cs1
InChIInChI=1S/C13H20N4S2/c1-4-14-13-16-10(9-18-13)11-7-15-12(19-11)8-17(5-2)6-3/h7,9H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyYGURVHPJCGFXBA-UHFFFAOYSA-N
XLogP3.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 82424630
N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82422498
4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82423280
N-butan-2-yl-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82423578
N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82424904
4-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 82422365
4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82515628
4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82423575
4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82423315
4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82514661
4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82430456
N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82424494

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine (CID 82424663) is 4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine is CCNc1nc(-c2cnc(CN(CC)CC)s2)cs1.
What is the InChIKey of 4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is YGURVHPJCGFXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S2/c1-4-14-13-16-10(9-18-13)11-7-15-12(19-11)8-17(5-2)6-3/h7,9H,4-6,8H2,1-3H3,(H,14,16).
What are the key properties of 4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine?
4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 296.47 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82424663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).