1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]anilino]ethanone

C19H22ClN5O2S — CID 142393741

IUPAC1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]anilino]ethanone
SMILESCN(C)CCCc1ncc(-c2ccc(Cl)c(NCC(=O)c3coc(N)n3)c2)s1
InChIInChI=1S/C19H22ClN5O2S/c1-25(2)7-3-4-18-23-10-17(28-18)12-5-6-13(20)14(8-12)22-9-16(26)15-11-27-19(21)24-15/h5-6,8,10-11,22H,3-4,7,9H2,1-2H3,(H2,21,24)
InChIKeyMVKKNSMTJJIVFQ-UHFFFAOYSA-N
MW419.94 g/mol
LogP3.82
Rot. Bonds9

About 1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]anilino]ethanone

1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]anilino]ethanone (PubChem CID 142393741) has the molecular formula C19H22ClN5O2S and a molecular weight of 419.94 g/mol. Its IUPAC name is 1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]anilino]ethanone.

Molecular Properties

Compound Name1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]anilino]ethanone
PubChem CID142393741
Molecular FormulaC19H22ClN5O2S
Molecular Weight419.94 g/mol
Exact Mass419.12
IUPAC Name1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]anilino]ethanone
SMILESCN(C)CCCc1ncc(-c2ccc(Cl)c(NCC(=O)c3coc(N)n3)c2)s1
InChIInChI=1S/C19H22ClN5O2S/c1-25(2)7-3-4-18-23-10-17(28-18)12-5-6-13(20)14(8-12)22-9-16(26)15-11-27-19(21)24-15/h5-6,8,10-11,22H,3-4,7,9H2,1-2H3,(H2,21,24)
InChIKeyMVKKNSMTJJIVFQ-UHFFFAOYSA-N
XLogP3.82
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.94
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]anilino]ethanone?
The IUPAC name of 1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]anilino]ethanone (CID 142393741) is 1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]anilino]ethanone.
What is the SMILES notation for 1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]anilino]ethanone?
The canonical SMILES for 1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]anilino]ethanone is CN(C)CCCc1ncc(-c2ccc(Cl)c(NCC(=O)c3coc(N)n3)c2)s1.
What is the InChIKey of 1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]anilino]ethanone?
The InChIKey is MVKKNSMTJJIVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2S/c1-25(2)7-3-4-18-23-10-17(28-18)12-5-6-13(20)14(8-12)22-9-16(26)15-11-27-19(21)24-15/h5-6,8,10-11,22H,3-4,7,9H2,1-2H3,(H2,21,24).
What are the key properties of 1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]anilino]ethanone?
1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]anilino]ethanone has a molecular weight of 419.94 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]anilino]ethanone is sourced from PubChem (CID 142393741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).