N,2,3-trimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine

C11H20N2S — CID 83160468

IUPACN,2,3-trimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
SMILESCNCC(C)(Cc1nccs1)C(C)C
InChIInChI=1S/C11H20N2S/c1-9(2)11(3,8-12-4)7-10-13-5-6-14-10/h5-6,9,12H,7-8H2,1-4H3
InChIKeyLXMGYCRZUAMAEX-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.57
Rot. Bonds5

About N,2,3-trimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine

N,2,3-trimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine (PubChem CID 83160468) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N,2,3-trimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN,2,3-trimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
PubChem CID83160468
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN,2,3-trimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
SMILESCNCC(C)(Cc1nccs1)C(C)C
InChIInChI=1S/C11H20N2S/c1-9(2)11(3,8-12-4)7-10-13-5-6-14-10/h5-6,9,12H,7-8H2,1-4H3
InChIKeyLXMGYCRZUAMAEX-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 83160211
N-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 83151543
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,2,3-trimethylbutan-1-amine
CID 83160201
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61326610
2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79819044
N,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 79824308
N-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 83150869
4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79820463
N-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine
CID 83150850
3-(1,3-thiazol-2-ylmethyl)pentan-3-ol
CID 79819045
2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine
CID 83159196

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
The IUPAC name of N,2,3-trimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine (CID 83160468) is N,2,3-trimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N,2,3-trimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
The canonical SMILES for N,2,3-trimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine is CNCC(C)(Cc1nccs1)C(C)C.
What is the InChIKey of N,2,3-trimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
The InChIKey is LXMGYCRZUAMAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-9(2)11(3,8-12-4)7-10-13-5-6-14-10/h5-6,9,12H,7-8H2,1-4H3.
What are the key properties of N,2,3-trimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
N,2,3-trimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 83160468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).