2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide

C12H22N4OS — CID 43777703

IUPAC2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1cnc(N(CC)CC)s1
InChIInChI=1S/C12H22N4OS/c1-4-14-11(17)9-13-7-10-8-15-12(18-10)16(5-2)6-3/h8,13H,4-7,9H2,1-3H3,(H,14,17)
InChIKeyLUZIDHAMSHZPNB-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.22
Rot. Bonds8

About 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide

2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide (PubChem CID 43777703) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide
PubChem CID43777703
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1cnc(N(CC)CC)s1
InChIInChI=1S/C12H22N4OS/c1-4-14-11(17)9-13-7-10-8-15-12(18-10)16(5-2)6-3/h8,13H,4-7,9H2,1-3H3,(H,14,17)
InChIKeyLUZIDHAMSHZPNB-UHFFFAOYSA-N
XLogP1.22
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79482761
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid
CID 54959823
N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103700618
N-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 62749898
N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine
CID 115595001
5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 62047327
4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol
CID 106124874
N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757506
N,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103735792
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
CID 113342046
4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961852

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide (CID 43777703) is 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide is CCNC(=O)CNCc1cnc(N(CC)CC)s1.
What is the InChIKey of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide?
The InChIKey is LUZIDHAMSHZPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-4-14-11(17)9-13-7-10-8-15-12(18-10)16(5-2)6-3/h8,13H,4-7,9H2,1-3H3,(H,14,17).
What are the key properties of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide?
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide has a molecular weight of 270.40 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide is sourced from PubChem (CID 43777703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).