4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide

C19H20N2O2S — CID 32638446

IUPAC4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide
SMILESCOCc1cccc(NC(=O)CCCc2nc3ccccc3s2)c1
InChIInChI=1S/C19H20N2O2S/c1-23-13-14-6-4-7-15(12-14)20-18(22)10-5-11-19-21-16-8-2-3-9-17(16)24-19/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,22)
InChIKeyYYSRHJMUMXWMJH-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.40
Rot. Bonds7

About 4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide

4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide (PubChem CID 32638446) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide
PubChem CID32638446
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide
SMILESCOCc1cccc(NC(=O)CCCc2nc3ccccc3s2)c1
InChIInChI=1S/C19H20N2O2S/c1-23-13-14-6-4-7-15(12-14)20-18(22)10-5-11-19-21-16-8-2-3-9-17(16)24-19/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,22)
InChIKeyYYSRHJMUMXWMJH-UHFFFAOYSA-N
XLogP4.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzothiazol-2-yl)-N-[[3-(butanoylamino)phenyl]methyl]butanamide
CID 55782553
2-[3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]phenyl]acetic acid
CID 119351780
4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide
CID 46427440
N-[3-(2-anilino-2-oxoethoxy)phenyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55901194
4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide
CID 2472699
4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide
CID 51162107
1-[[3-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide
CID 55859277
N-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 119418973
3-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]propanoic acid
CID 119252157
4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide
CID 26087329
5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide
CID 24530018
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide (CID 32638446) is 4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide is COCc1cccc(NC(=O)CCCc2nc3ccccc3s2)c1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide?
The InChIKey is YYSRHJMUMXWMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-23-13-14-6-4-7-15(12-14)20-18(22)10-5-11-19-21-16-8-2-3-9-17(16)24-19/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,22).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide?
4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide has a molecular weight of 340.45 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide is sourced from PubChem (CID 32638446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).