N,2,2-trimethyl-1-(1,2-thiazol-3-yl)propan-1-amine

C9H16N2S — CID 130667241

IUPACN,2,2-trimethyl-1-(1,2-thiazol-3-yl)propan-1-amine
SMILESCNC(c1ccsn1)C(C)(C)C
InChIInChI=1S/C9H16N2S/c1-9(2,3)8(10-4)7-5-6-12-11-7/h5-6,8,10H,1-4H3
InChIKeyZXFGCAUPVVKUAU-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.45
Rot. Bonds2

About N,2,2-trimethyl-1-(1,2-thiazol-3-yl)propan-1-amine

N,2,2-trimethyl-1-(1,2-thiazol-3-yl)propan-1-amine (PubChem CID 130667241) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N,2,2-trimethyl-1-(1,2-thiazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-(1,2-thiazol-3-yl)propan-1-amine
PubChem CID130667241
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN,2,2-trimethyl-1-(1,2-thiazol-3-yl)propan-1-amine
SMILESCNC(c1ccsn1)C(C)(C)C
InChIInChI=1S/C9H16N2S/c1-9(2,3)8(10-4)7-5-6-12-11-7/h5-6,8,10H,1-4H3
InChIKeyZXFGCAUPVVKUAU-UHFFFAOYSA-N
XLogP2.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(1,2-thiazol-3-yl)propan-1-amine
CID 131088967
3-(1-chloroethyl)-1,2-thiazole
CID 130920926
N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine
CID 105145918
N,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine
CID 62395733
3-(1,2-thiazol-3-yl)butan-1-amine
CID 126985785
N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783067
N,2,2-trimethyl-1-(4-methyl-3-pyridinyl)propan-1-amine
CID 66271629
1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine
CID 105146074
1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 116810333
1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43483759
2-methoxy-N,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102833225
1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine
CID 115854470

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1-(1,2-thiazol-3-yl)propan-1-amine?
The IUPAC name of N,2,2-trimethyl-1-(1,2-thiazol-3-yl)propan-1-amine (CID 130667241) is N,2,2-trimethyl-1-(1,2-thiazol-3-yl)propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-1-(1,2-thiazol-3-yl)propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-1-(1,2-thiazol-3-yl)propan-1-amine is CNC(c1ccsn1)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-1-(1,2-thiazol-3-yl)propan-1-amine?
The InChIKey is ZXFGCAUPVVKUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-9(2,3)8(10-4)7-5-6-12-11-7/h5-6,8,10H,1-4H3.
What are the key properties of N,2,2-trimethyl-1-(1,2-thiazol-3-yl)propan-1-amine?
N,2,2-trimethyl-1-(1,2-thiazol-3-yl)propan-1-amine has a molecular weight of 184.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-(1,2-thiazol-3-yl)propan-1-amine is sourced from PubChem (CID 130667241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).