N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C20H19N3O3S2 — CID 18142844

IUPACN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1nc(-c2ccc(CCNC(=O)C(C)n3c(=O)oc4ccccc43)s2)cs1
InChIInChI=1S/C20H19N3O3S2/c1-12(23-16-5-3-4-6-17(16)26-20(23)25)19(24)21-10-9-14-7-8-18(28-14)15-11-27-13(2)22-15/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)
InChIKeyAGGYFCXJZRLSNU-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.01
Rot. Bonds6

About N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 18142844) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID18142844
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC NameN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1nc(-c2ccc(CCNC(=O)C(C)n3c(=O)oc4ccccc43)s2)cs1
InChIInChI=1S/C20H19N3O3S2/c1-12(23-16-5-3-4-6-17(16)26-20(23)25)19(24)21-10-9-14-7-8-18(28-14)15-11-27-13(2)22-15/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)
InChIKeyAGGYFCXJZRLSNU-UHFFFAOYSA-N
XLogP4.01
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 18142844) is N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is Cc1nc(-c2ccc(CCNC(=O)C(C)n3c(=O)oc4ccccc43)s2)cs1.
What is the InChIKey of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is AGGYFCXJZRLSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c1-12(23-16-5-3-4-6-17(16)26-20(23)25)19(24)21-10-9-14-7-8-18(28-14)15-11-27-13(2)22-15/h3-8,11-12H,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 413.52 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 18142844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).