N-(6-fluoro-2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide

C18H15FN4O3S2 — CID 118618293

IUPACN-(6-fluoro-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)c(F)cc2o1
InChIInChI=1S/C18H15FN4O3S2/c1-9-20-12-7-11(10(19)6-13(12)26-9)21-16(24)14-8-15-17(27-14)22-18(28-15)23-2-4-25-5-3-23/h6-8H,2-5H2,1H3,(H,21,24)
InChIKeyDBOWSEPZTJJEIL-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.04
Rot. Bonds3

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

N-(6-fluoro-2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618293) has the molecular formula C18H15FN4O3S2 and a molecular weight of 418.48 g/mol. Its IUPAC name is N-(6-fluoro-2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618293
Molecular FormulaC18H15FN4O3S2
Molecular Weight418.48 g/mol
Exact Mass418.06
IUPAC NameN-(6-fluoro-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)c(F)cc2o1
InChIInChI=1S/C18H15FN4O3S2/c1-9-20-12-7-11(10(19)6-13(12)26-9)21-16(24)14-8-15-17(27-14)22-18(28-15)23-2-4-25-5-3-23/h6-8H,2-5H2,1H3,(H,21,24)
InChIKeyDBOWSEPZTJJEIL-UHFFFAOYSA-N
XLogP4.04
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(6-fluoro-2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618293) is N-(6-fluoro-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-(6-fluoro-2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(6-fluoro-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)c(F)cc2o1.
What is the InChIKey of N-(6-fluoro-2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is DBOWSEPZTJJEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3S2/c1-9-20-12-7-11(10(19)6-13(12)26-9)21-16(24)14-8-15-17(27-14)22-18(28-15)23-2-4-25-5-3-23/h6-8H,2-5H2,1H3,(H,21,24).
What are the key properties of N-(6-fluoro-2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
N-(6-fluoro-2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).