2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine

C10H18N2S — CID 104589139

IUPAC2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
SMILESCCC(C)(C)CNCc1cncs1
InChIInChI=1S/C10H18N2S/c1-4-10(2,3)7-11-5-9-6-12-8-13-9/h6,8,11H,4-5,7H2,1-3H3
InChIKeyGNUQBPQOGXLRDO-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.67
Rot. Bonds5

About 2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine

2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine (PubChem CID 104589139) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
PubChem CID104589139
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
SMILESCCC(C)(C)CNCc1cncs1
InChIInChI=1S/C10H18N2S/c1-4-10(2,3)7-11-5-9-6-12-8-13-9/h6,8,11H,4-5,7H2,1-3H3
InChIKeyGNUQBPQOGXLRDO-UHFFFAOYSA-N
XLogP2.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol
CID 65108079
5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine
CID 106141056
2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644062
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 103698488
N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644065
N-(1,3-thiazol-5-ylmethyl)heptan-1-amine
CID 115732008
N-tert-butyl-2-(1,3-thiazol-5-ylmethylamino)acetamide
CID 81422252
2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 116789344
2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759622
N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103698467
N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 112644277
2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732773

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine (CID 104589139) is 2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine is CCC(C)(C)CNCc1cncs1.
What is the InChIKey of 2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine?
The InChIKey is GNUQBPQOGXLRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-10(2,3)7-11-5-9-6-12-8-13-9/h6,8,11H,4-5,7H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine?
2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine is sourced from PubChem (CID 104589139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).