2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide

C20H22N4O3S2 — CID 118618637

IUPAC2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOCCN(c1nc2sc(C(=O)Nc3ccc4oc(C)nc4c3)cc2s1)C(C)C
InChIInChI=1S/C20H22N4O3S2/c1-11(2)24(7-8-26-4)20-23-19-17(29-20)10-16(28-19)18(25)22-13-5-6-15-14(9-13)21-12(3)27-15/h5-6,9-11H,7-8H2,1-4H3,(H,22,25)
InChIKeyDLOGDTSEYDKQPO-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.92
Rot. Bonds7

About 2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide

2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618637) has the molecular formula C20H22N4O3S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is 2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618637
Molecular FormulaC20H22N4O3S2
Molecular Weight430.56 g/mol
Exact Mass430.11
IUPAC Name2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOCCN(c1nc2sc(C(=O)Nc3ccc4oc(C)nc4c3)cc2s1)C(C)C
InChIInChI=1S/C20H22N4O3S2/c1-11(2)24(7-8-26-4)20-23-19-17(29-20)10-16(28-19)18(25)22-13-5-6-15-14(9-13)21-12(3)27-15/h5-6,9-11H,7-8H2,1-4H3,(H,22,25)
InChIKeyDLOGDTSEYDKQPO-UHFFFAOYSA-N
XLogP4.92
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-hydroxyethyl(methyl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618336
2-[2-(4-chlorophenoxy)ethylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618353
1-(methoxymethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d]imidazole-5-carboxamide
CID 118618295
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 140783698
2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618713
2-[2-methoxyethyl(methyl)amino]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618416
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 34303904
5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625344
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618637) is 2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide is COCCN(c1nc2sc(C(=O)Nc3ccc4oc(C)nc4c3)cc2s1)C(C)C.
What is the InChIKey of 2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is DLOGDTSEYDKQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S2/c1-11(2)24(7-8-26-4)20-23-19-17(29-20)10-16(28-19)18(25)22-13-5-6-15-14(9-13)21-12(3)27-15/h5-6,9-11H,7-8H2,1-4H3,(H,22,25).
What are the key properties of 2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 430.56 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).