N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine

C13H25N3S — CID 79482761

IUPACN-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
SMILESCCNCc1cnc(N(CC)CC(C)CC)s1
InChIInChI=1S/C13H25N3S/c1-5-11(4)10-16(7-3)13-15-9-12(17-13)8-14-6-2/h9,11,14H,5-8,10H2,1-4H3
InChIKeyWRYQSANLZRXIEO-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.12
Rot. Bonds8

About N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine

N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine (PubChem CID 79482761) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
PubChem CID79482761
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
SMILESCCNCc1cnc(N(CC)CC(C)CC)s1
InChIInChI=1S/C13H25N3S/c1-5-11(4)10-16(7-3)13-15-9-12(17-13)8-14-6-2/h9,11,14H,5-8,10H2,1-4H3
InChIKeyWRYQSANLZRXIEO-UHFFFAOYSA-N
XLogP3.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[ethyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 79481173
N-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 62749898
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-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide
CID 43777703
N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 43767177
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol
CID 43771096
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
CID 113342046
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid
CID 54959823
N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine
CID 43769127
5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine
CID 62755153
N-ethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 55112531

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine (CID 79482761) is N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine is CCNCc1cnc(N(CC)CC(C)CC)s1.
What is the InChIKey of N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine?
The InChIKey is WRYQSANLZRXIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-5-11(4)10-16(7-3)13-15-9-12(17-13)8-14-6-2/h9,11,14H,5-8,10H2,1-4H3.
What are the key properties of N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine?
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79482761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).