2-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol

C15H21N3OS — CID 134697759

IUPAC2-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol
SMILESCc1ncsc1CN(Cc1ccccn1)C(C)(C)CO
InChIInChI=1S/C15H21N3OS/c1-12-14(20-11-17-12)9-18(15(2,3)10-19)8-13-6-4-5-7-16-13/h4-7,11,19H,8-10H2,1-3H3
InChIKeyVDYBEBIODQRUGB-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.62
Rot. Bonds6

About 2-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol

2-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol (PubChem CID 134697759) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol
PubChem CID134697759
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol
SMILESCc1ncsc1CN(Cc1ccccn1)C(C)(C)CO
InChIInChI=1S/C15H21N3OS/c1-12-14(20-11-17-12)9-18(15(2,3)10-19)8-13-6-4-5-7-16-13/h4-7,11,19H,8-10H2,1-3H3
InChIKeyVDYBEBIODQRUGB-UHFFFAOYSA-N
XLogP2.62
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol with MolForge

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Related Compounds

N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 50975442
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 63836860
2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110970571
[1-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]isoquinolin-3-yl]methanol
CID 63837159
N',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine
CID 63837706
ethane;pyridin-2-ylmethanol
CID 91461493
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 104742351
2-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111100736
3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide
CID 96577763
2-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63836968
2-N,2-dimethyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 43564797
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 104540410

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol (CID 134697759) is 2-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol is Cc1ncsc1CN(Cc1ccccn1)C(C)(C)CO.
What is the InChIKey of 2-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol?
The InChIKey is VDYBEBIODQRUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-12-14(20-11-17-12)9-18(15(2,3)10-19)8-13-6-4-5-7-16-13/h4-7,11,19H,8-10H2,1-3H3.
What are the key properties of 2-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol?
2-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol has a molecular weight of 291.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 134697759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).