N-[[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C14H25N3S — CID 55162913

IUPACN-[[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(N2CCCC2(C)C)s1
InChIInChI=1S/C14H25N3S/c1-13(2,3)16-10-11-9-15-12(18-11)17-8-6-7-14(17,4)5/h9,16H,6-8,10H2,1-5H3
InChIKeyCYRCJXQABSIAHM-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.41
Rot. Bonds3

About N-[[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 55162913) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID55162913
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(N2CCCC2(C)C)s1
InChIInChI=1S/C14H25N3S/c1-13(2,3)16-10-11-9-15-12(18-11)17-8-6-7-14(17,4)5/h9,16H,6-8,10H2,1-5H3
InChIKeyCYRCJXQABSIAHM-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 63218439
N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63163672
N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62751979
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 63218436
N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62754591
N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 83185212
N-[[5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63218000
4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazine-2,6-dione
CID 66075448
N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55112409
4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one
CID 63607199
2-methyl-N-[[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62753468

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 55162913) is N-[[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(N2CCCC2(C)C)s1.
What is the InChIKey of N-[[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is CYRCJXQABSIAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-13(2,3)16-10-11-9-15-12(18-11)17-8-6-7-14(17,4)5/h9,16H,6-8,10H2,1-5H3.
What are the key properties of N-[[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55162913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).