N-(3,3-dimethylbutan-2-yl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine

C15H29N3S — CID 55117321

IUPACN-(3,3-dimethylbutan-2-yl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)C(C)C(C)(C)C)nc1CC
InChIInChI=1S/C15H29N3S/c1-8-12-13(10-16-9-2)19-14(17-12)18(7)11(3)15(4,5)6/h11,16H,8-10H2,1-7H3
InChIKeyMAMFKSHULHXHIC-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.69
Rot. Bonds6

About N-(3,3-dimethylbutan-2-yl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine

N-(3,3-dimethylbutan-2-yl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 55117321) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID55117321
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC NameN-(3,3-dimethylbutan-2-yl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)C(C)C(C)(C)C)nc1CC
InChIInChI=1S/C15H29N3S/c1-8-12-13(10-16-9-2)19-14(17-12)18(7)11(3)15(4,5)6/h11,16H,8-10H2,1-7H3
InChIKeyMAMFKSHULHXHIC-UHFFFAOYSA-N
XLogP3.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-5-(ethylaminomethyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 62765369
5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766993
N,4-diethyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62766538
5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-pentan-2-yl-1,3-thiazol-2-amine
CID 62769033
4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768109
N'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63727761
N,4-diethyl-5-(ethylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 62766743
4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine
CID 63519386
5-(ethylaminomethyl)-N-methyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79395786
N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 81067888
5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 62768327
N-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 78917407

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine (CID 55117321) is N-(3,3-dimethylbutan-2-yl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine is CCNCc1sc(N(C)C(C)C(C)(C)C)nc1CC.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is MAMFKSHULHXHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-8-12-13(10-16-9-2)19-14(17-12)18(7)11(3)15(4,5)6/h11,16H,8-10H2,1-7H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine?
N-(3,3-dimethylbutan-2-yl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 283.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 55117321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).