2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide

C17H13N5O2S2 — CID 137463863

IUPAC2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESNc1nc2ccc(CC(=O)Nc3nnc(-c4ccc(O)cc4)s3)cc2s1
InChIInChI=1S/C17H13N5O2S2/c18-16-19-12-6-1-9(7-13(12)25-16)8-14(24)20-17-22-21-15(26-17)10-2-4-11(23)5-3-10/h1-7,23H,8H2,(H2,18,19)(H,20,22,24)
InChIKeyXAVUNKORHAGRAX-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.28
Rot. Bonds4

About 2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 137463863) has the molecular formula C17H13N5O2S2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID137463863
Molecular FormulaC17H13N5O2S2
Molecular Weight383.46 g/mol
Exact Mass383.05
IUPAC Name2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESNc1nc2ccc(CC(=O)Nc3nnc(-c4ccc(O)cc4)s3)cc2s1
InChIInChI=1S/C17H13N5O2S2/c18-16-19-12-6-1-9(7-13(12)25-16)8-14(24)20-17-22-21-15(26-17)10-2-4-11(23)5-3-10/h1-7,23H,8H2,(H2,18,19)(H,20,22,24)
InChIKeyXAVUNKORHAGRAX-UHFFFAOYSA-N
XLogP3.28
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-[2-(ethoxymethoxy)-4-methylphenyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 149413902
2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 137463555
2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 159143364
2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 110522782
2-(4-chlorophenyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100533988
1-(2-amino-1,3-benzothiazol-6-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-2-one
CID 148516350
2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 174783755
6-(ethylaminomethyl)-1,3-benzothiazol-2-amine
CID 65348658
2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]acetamide
CID 136874296
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 1307564
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 82176854
2-[2-(propanoylamino)-1,3-benzothiazol-6-yl]acetic acid
CID 29247510

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 137463863) is 2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is Nc1nc2ccc(CC(=O)Nc3nnc(-c4ccc(O)cc4)s3)cc2s1.
What is the InChIKey of 2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is XAVUNKORHAGRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S2/c18-16-19-12-6-1-9(7-13(12)25-16)8-14(24)20-17-22-21-15(26-17)10-2-4-11(23)5-3-10/h1-7,23H,8H2,(H2,18,19)(H,20,22,24).
What are the key properties of 2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 383.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-benzothiazol-6-yl)-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 137463863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).