tert-butyl 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]acetate

C15H19N3O2S — CID 78994252

IUPACtert-butyl 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]acetate
SMILESCC(C)(C)OC(=O)CNCc1csc(-c2ccccn2)n1
InChIInChI=1S/C15H19N3O2S/c1-15(2,3)20-13(19)9-16-8-11-10-21-14(18-11)12-6-4-5-7-17-12/h4-7,10,16H,8-9H2,1-3H3
InChIKeyKIOSBQWPAMNDOK-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.64
Rot. Bonds5

About tert-butyl 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]acetate

tert-butyl 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]acetate (PubChem CID 78994252) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is tert-butyl 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]acetate
PubChem CID78994252
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Nametert-butyl 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]acetate
SMILESCC(C)(C)OC(=O)CNCc1csc(-c2ccccn2)n1
InChIInChI=1S/C15H19N3O2S/c1-15(2,3)20-13(19)9-16-8-11-10-21-14(18-11)12-6-4-5-7-17-12/h4-7,10,16H,8-9H2,1-3H3
InChIKeyKIOSBQWPAMNDOK-UHFFFAOYSA-N
XLogP2.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methylpropan-2-yl)oxy]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 82720811
2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234329
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
CID 60863942
N-propan-2-yl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115582676
1-methoxy-2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 115608060
2-methylsulfonyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 47267496
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
3-methylsulfinyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115632903
tert-butyl 2-(pyridin-2-ylmethylamino)acetate;ethyl formate
CID 174719309
2-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethoxy]ethanol
CID 43234376
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108748809
3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108748929

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]acetate?
The IUPAC name of tert-butyl 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]acetate (CID 78994252) is tert-butyl 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]acetate?
The canonical SMILES for tert-butyl 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]acetate is CC(C)(C)OC(=O)CNCc1csc(-c2ccccn2)n1.
What is the InChIKey of tert-butyl 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]acetate?
The InChIKey is KIOSBQWPAMNDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-15(2,3)20-13(19)9-16-8-11-10-21-14(18-11)12-6-4-5-7-17-12/h4-7,10,16H,8-9H2,1-3H3.
What are the key properties of tert-butyl 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]acetate?
tert-butyl 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]acetate has a molecular weight of 305.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]acetate is sourced from PubChem (CID 78994252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).