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

C18H15N3O2S2 — CID 71795386

IUPAC2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)Cc1noc2ccccc12
InChIInChI=1S/C18H15N3O2S2/c1-11-16(25-18(20-11)15-7-4-8-24-15)10-19-17(22)9-13-12-5-2-3-6-14(12)23-21-13/h2-8H,9-10H2,1H3,(H,19,22)
InChIKeyXAPMRVKQFLADKU-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.18
Rot. Bonds5

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

2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 71795386) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID71795386
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)Cc1noc2ccccc12
InChIInChI=1S/C18H15N3O2S2/c1-11-16(25-18(20-11)15-7-4-8-24-15)10-19-17(22)9-13-12-5-2-3-6-14(12)23-21-13/h2-8H,9-10H2,1H3,(H,19,22)
InChIKeyXAPMRVKQFLADKU-UHFFFAOYSA-N
XLogP4.18
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide (CID 71795386) is 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide is Cc1nc(-c2cccs2)sc1CNC(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is XAPMRVKQFLADKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c1-11-16(25-18(20-11)15-7-4-8-24-15)10-19-17(22)9-13-12-5-2-3-6-14(12)23-21-13/h2-8H,9-10H2,1H3,(H,19,22).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 71795386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).