N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide

C18H16N4O3S2 — CID 102593986

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc4sc(N5CCOCC5)nc4s3)ccc2o1
InChIInChI=1S/C18H16N4O3S2/c1-10-19-12-8-11(2-3-13(12)25-10)20-16(23)14-9-15-17(26-14)21-18(27-15)22-4-6-24-7-5-22/h2-3,8-9H,4-7H2,1H3,(H,20,23)
InChIKeyACHNFASMWVYQSW-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.90
Rot. Bonds3

About N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide

N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 102593986) has the molecular formula C18H16N4O3S2 and a molecular weight of 400.49 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID102593986
Molecular FormulaC18H16N4O3S2
Molecular Weight400.49 g/mol
Exact Mass400.07
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc4sc(N5CCOCC5)nc4s3)ccc2o1
InChIInChI=1S/C18H16N4O3S2/c1-10-19-12-8-11(2-3-13(12)25-10)20-16(23)14-9-15-17(26-14)21-18(27-15)22-4-6-24-7-5-22/h2-3,8-9H,4-7H2,1H3,(H,20,23)
InChIKeyACHNFASMWVYQSW-UHFFFAOYSA-N
XLogP3.90
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.90
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
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
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 N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (CID 102593986) is N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is Cc1nc2cc(NC(=O)c3cc4sc(N5CCOCC5)nc4s3)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is ACHNFASMWVYQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S2/c1-10-19-12-8-11(2-3-13(12)25-10)20-16(23)14-9-15-17(26-14)21-18(27-15)22-4-6-24-7-5-22/h2-3,8-9H,4-7H2,1H3,(H,20,23).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 102593986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).