2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine

C13H21N3S — CID 91830927

IUPAC2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCN(CCN1C[C@H]2CC[C@@H]1C2)Cc1nccs1
InChIInChI=1S/C13H21N3S/c1-15(10-13-14-4-7-17-13)5-6-16-9-11-2-3-12(16)8-11/h4,7,11-12H,2-3,5-6,8-10H2,1H3/t11-,12+/m0/s1
InChIKeyNZRASVKAKNXSOM-NWDGAFQWSA-N
MW251.40 g/mol
LogP2.06
Rot. Bonds5

About 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine

2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 91830927) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID91830927
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCN(CCN1C[C@H]2CC[C@@H]1C2)Cc1nccs1
InChIInChI=1S/C13H21N3S/c1-15(10-13-14-4-7-17-13)5-6-16-9-11-2-3-12(16)8-11/h4,7,11-12H,2-3,5-6,8-10H2,1H3/t11-,12+/m0/s1
InChIKeyNZRASVKAKNXSOM-NWDGAFQWSA-N
XLogP2.06
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 3234888
2-[[1-(Cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97372578
2-[(1-Methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole
CID 97372628
2-[[(4aR,7aR)-6-methylsulfonyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]methyl]-1,3-thiazole
CID 97377274
2-(2-azabicyclo[2.2.1]hept-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 133544181
N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 120857651
N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 120857653
2-[(3-Fluoro-3-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 126790277
2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
CID 129488110
2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
CID 129488111
4-[1-(2,2-Dimethylpropyl)-3-pyrrolidinyl]-1-(1,3-thiazol-2-ylmethyl)piperidine
CID 45211104
N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 45238050

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 91830927) is 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine is CN(CCN1C[C@H]2CC[C@@H]1C2)Cc1nccs1.
What is the InChIKey of 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is NZRASVKAKNXSOM-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H21N3S/c1-15(10-13-14-4-7-17-13)5-6-16-9-11-2-3-12(16)8-11/h4,7,11-12H,2-3,5-6,8-10H2,1H3/t11-,12+/m0/s1.
What are the key properties of 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 251.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 91830927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).