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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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).