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

C12H22N2S — CID 115729046

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methylbutan-2-amine
SMILESCc1nc(CCNC(C)C(C)C)sc1C
InChIInChI=1S/C12H22N2S/c1-8(2)9(3)13-7-6-12-14-10(4)11(5)15-12/h8-9,13H,6-7H2,1-5H3
InChIKeyUKCSHIUVJBQFQP-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.94
Rot. Bonds5

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

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methylbutan-2-amine (PubChem CID 115729046) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methylbutan-2-amine
PubChem CID115729046
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methylbutan-2-amine
SMILESCc1nc(CCNC(C)C(C)C)sc1C
InChIInChI=1S/C12H22N2S/c1-8(2)9(3)13-7-6-12-14-10(4)11(5)15-12/h8-9,13H,6-7H2,1-5H3
InChIKeyUKCSHIUVJBQFQP-UHFFFAOYSA-N
XLogP2.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 119891761
(2S)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide
CID 119891763
3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 82102705
4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 120565744
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 64989566
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721640
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 115715967
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82102878
4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82124919
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
CID 65169094
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
CID 83176829
4-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 83188013

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methylbutan-2-amine?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methylbutan-2-amine (CID 115729046) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methylbutan-2-amine is Cc1nc(CCNC(C)C(C)C)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methylbutan-2-amine?
The InChIKey is UKCSHIUVJBQFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-8(2)9(3)13-7-6-12-14-10(4)11(5)15-12/h8-9,13H,6-7H2,1-5H3.
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methylbutan-2-amine?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methylbutan-2-amine has a molecular weight of 226.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methylbutan-2-amine is sourced from PubChem (CID 115729046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).