N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine

C11H20N2S — CID 62726130

IUPACN,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCNCC(C)(C)CCc1scnc1C
InChIInChI=1S/C11H20N2S/c1-9-10(14-8-13-9)5-6-11(2,3)7-12-4/h8,12H,5-7H2,1-4H3
InChIKeyILNYNLCEPDWATQ-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.63
Rot. Bonds5

About N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine

N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (PubChem CID 62726130) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
PubChem CID62726130
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCNCC(C)(C)CCc1scnc1C
InChIInChI=1S/C11H20N2S/c1-9-10(14-8-13-9)5-6-11(2,3)7-12-4/h8,12H,5-7H2,1-4H3
InChIKeyILNYNLCEPDWATQ-UHFFFAOYSA-N
XLogP2.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N,2-dimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62724465
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine
CID 55106894
N-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine
CID 102640727
N,2-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 164663998
2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile
CID 65379325
N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62531100
2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 65267138
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
2-methyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine
CID 102641549
N-tert-butyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine
CID 55077594

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The IUPAC name of N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (CID 62726130) is N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The canonical SMILES for N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is CNCC(C)(C)CCc1scnc1C.
What is the InChIKey of N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The InChIKey is ILNYNLCEPDWATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-9-10(14-8-13-9)5-6-11(2,3)7-12-4/h8,12H,5-7H2,1-4H3.
What are the key properties of N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 62726130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).