2-(2,6-dimethylmorpholin-4-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide

C20H20N4O3S2 — CID 118618294

IUPAC2-(2,6-dimethylmorpholin-4-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc4sc(N5CC(C)OC(C)C5)nc4s3)ccc2o1
InChIInChI=1S/C20H20N4O3S2/c1-10-8-24(9-11(2)26-10)20-23-19-17(29-20)7-16(28-19)18(25)22-13-4-5-15-14(6-13)21-12(3)27-15/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)
InChIKeyDZYDWQBQZMQCJT-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.67
Rot. Bonds3

About 2-(2,6-dimethylmorpholin-4-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide

2-(2,6-dimethylmorpholin-4-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618294) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618294
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc4sc(N5CC(C)OC(C)C5)nc4s3)ccc2o1
InChIInChI=1S/C20H20N4O3S2/c1-10-8-24(9-11(2)26-10)20-23-19-17(29-20)7-16(28-19)18(25)22-13-4-5-15-14(6-13)21-12(3)27-15/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)
InChIKeyDZYDWQBQZMQCJT-UHFFFAOYSA-N
XLogP4.67
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 1035368
5-Isothiocyanato-2-[5-(4-morpholinylmethyl)-2-thienyl]benzoxazole
CID 12781935
5-Isothiocyanato-2-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-1,3-benzoxazole
CID 12781938
Antitubercular agent-25
CID 102593986
2-[2-hydroxyethyl(methyl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618336
N-(4-methoxyphenyl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618662
2-(4-hydroxypiperidin-1-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618673
2-[3-hydroxypropyl(methyl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618706
Antitubercular agent-26
CID 118618746
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 140783694
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 140783698
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-1,3-benzoxazol-5-amine
CID 71975787

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618294) is 2-(2,6-dimethylmorpholin-4-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide is Cc1nc2cc(NC(=O)c3cc4sc(N5CC(C)OC(C)C5)nc4s3)ccc2o1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is DZYDWQBQZMQCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c1-10-8-24(9-11(2)26-10)20-23-19-17(29-20)7-16(28-19)18(25)22-13-4-5-15-14(6-13)21-12(3)27-15/h4-7,10-11H,8-9H2,1-3H3,(H,22,25).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-(2,6-dimethylmorpholin-4-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).