tert-butyl 2-[methyl-[4-[3-[2-(propanoylamino)-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetate

C24H28N4O3S — CID 170360331

IUPACtert-butyl 2-[methyl-[4-[3-[2-(propanoylamino)-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetate
SMILESCCC(=O)Nc1nc(-c2cccc(-c3ccnc(N(C)CC(=O)OC(C)(C)C)c3)c2)cs1
InChIInChI=1S/C24H28N4O3S/c1-6-21(29)27-23-26-19(15-32-23)18-9-7-8-16(12-18)17-10-11-25-20(13-17)28(5)14-22(30)31-24(2,3)4/h7-13,15H,6,14H2,1-5H3,(H,26,27,29)
InChIKeyFVASBMZHQXPLKI-UHFFFAOYSA-N
MW452.58 g/mol
LogP5.00
Rot. Bonds7

About tert-butyl 2-[methyl-[4-[3-[2-(propanoylamino)-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetate

tert-butyl 2-[methyl-[4-[3-[2-(propanoylamino)-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetate (PubChem CID 170360331) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is tert-butyl 2-[methyl-[4-[3-[2-(propanoylamino)-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[methyl-[4-[3-[2-(propanoylamino)-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetate
PubChem CID170360331
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Nametert-butyl 2-[methyl-[4-[3-[2-(propanoylamino)-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetate
SMILESCCC(=O)Nc1nc(-c2cccc(-c3ccnc(N(C)CC(=O)OC(C)(C)C)c3)c2)cs1
InChIInChI=1S/C24H28N4O3S/c1-6-21(29)27-23-26-19(15-32-23)18-9-7-8-16(12-18)17-10-11-25-20(13-17)28(5)14-22(30)31-24(2,3)4/h7-13,15H,6,14H2,1-5H3,(H,26,27,29)
InChIKeyFVASBMZHQXPLKI-UHFFFAOYSA-N
XLogP5.00
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[methyl-[4-[3-[2-(propanoylamino)-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetate with MolForge

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Related Compounds

tert-butyl 2-[[4-[3-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]-methylamino]acetate
CID 169317095
[2-[[4-[3-[2-[acetyl(methyl)amino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamic acid
CID 155026592
tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate
CID 162743793
ethyl 3-[[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropanoate
CID 164907004
tert-butyl N-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139370768
N-[2-[[4-[3-[2-[(dimethylamino)methyl]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfinylpyrrole-3-carboxamide
CID 155036825
tert-butyl N-[2-[3-[[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]carbamoyl]phenyl]propan-2-yl]carbamate
CID 166172235
2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 164888892
tert-butyl 2-[3-[3-[2-[[2-[(1-methylsulfonylpyrrole-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]phenyl]pyrazol-1-yl]acetate
CID 156820164
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 4142849
2-[(4-ethoxyphenyl)methyl-methylamino]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 24593908
tert-butyl N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139371491

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[methyl-[4-[3-[2-(propanoylamino)-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetate?
The IUPAC name of tert-butyl 2-[methyl-[4-[3-[2-(propanoylamino)-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetate (CID 170360331) is tert-butyl 2-[methyl-[4-[3-[2-(propanoylamino)-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[methyl-[4-[3-[2-(propanoylamino)-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[methyl-[4-[3-[2-(propanoylamino)-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetate is CCC(=O)Nc1nc(-c2cccc(-c3ccnc(N(C)CC(=O)OC(C)(C)C)c3)c2)cs1.
What is the InChIKey of tert-butyl 2-[methyl-[4-[3-[2-(propanoylamino)-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetate?
The InChIKey is FVASBMZHQXPLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-6-21(29)27-23-26-19(15-32-23)18-9-7-8-16(12-18)17-10-11-25-20(13-17)28(5)14-22(30)31-24(2,3)4/h7-13,15H,6,14H2,1-5H3,(H,26,27,29).
What are the key properties of tert-butyl 2-[methyl-[4-[3-[2-(propanoylamino)-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetate?
tert-butyl 2-[methyl-[4-[3-[2-(propanoylamino)-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetate has a molecular weight of 452.58 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[methyl-[4-[3-[2-(propanoylamino)-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetate is sourced from PubChem (CID 170360331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).