N-[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide

C17H14N4O2S2 — CID 7105772

IUPACN-[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide
SMILESCOc1cccc2sc(Nc3nc4ccc(NC(C)=O)cc4s3)nc12
InChIInChI=1S/C17H14N4O2S2/c1-9(22)18-10-6-7-11-14(8-10)25-16(19-11)21-17-20-15-12(23-2)4-3-5-13(15)24-17/h3-8H,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyPOMUQRAYCOZYGL-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.62
Rot. Bonds4

About N-[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide

N-[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide (PubChem CID 7105772) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide
PubChem CID7105772
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC NameN-[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide
SMILESCOc1cccc2sc(Nc3nc4ccc(NC(C)=O)cc4s3)nc12
InChIInChI=1S/C17H14N4O2S2/c1-9(22)18-10-6-7-11-14(8-10)25-16(19-11)21-17-20-15-12(23-2)4-3-5-13(15)24-17/h3-8H,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyPOMUQRAYCOZYGL-UHFFFAOYSA-N
XLogP4.62
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide?
The IUPAC name of N-[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide (CID 7105772) is N-[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide.
What is the SMILES notation for N-[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide?
The canonical SMILES for N-[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide is COc1cccc2sc(Nc3nc4ccc(NC(C)=O)cc4s3)nc12.
What is the InChIKey of N-[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide?
The InChIKey is POMUQRAYCOZYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-9(22)18-10-6-7-11-14(8-10)25-16(19-11)21-17-20-15-12(23-2)4-3-5-13(15)24-17/h3-8H,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide?
N-[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide has a molecular weight of 370.46 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide is sourced from PubChem (CID 7105772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).