2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide

C16H23N3OS — CID 90605326

IUPAC2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C)c1nc2ccccc2s1
InChIInChI=1S/C16H23N3OS/c1-4-10-19(11-5-2)15(20)12-18(3)16-17-13-8-6-7-9-14(13)21-16/h6-9H,4-5,10-12H2,1-3H3
InChIKeyMLOZSZGSUCNUIV-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.38
Rot. Bonds7

About 2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide

2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide (PubChem CID 90605326) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide
PubChem CID90605326
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C)c1nc2ccccc2s1
InChIInChI=1S/C16H23N3OS/c1-4-10-19(11-5-2)15(20)12-18(3)16-17-13-8-6-7-9-14(13)21-16/h6-9H,4-5,10-12H2,1-3H3
InChIKeyMLOZSZGSUCNUIV-UHFFFAOYSA-N
XLogP3.38
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide
CID 90605517
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide
CID 7577310
N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
CID 90605410
N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 63392267
2-(1,3-benzothiazol-2-yl)-N,N-dibutylacetamide
CID 54184308
ethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate
CID 62004564
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N,N-dipropylacetamide
CID 112796921
N-(1,3-benzothiazol-2-yl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-ethylacetamide
CID 17488385
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide
CID 90605360
4-[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]piperazine-1-carbaldehyde
CID 90605476
methyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate
CID 62006139
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide
CID 71790247

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide?
The IUPAC name of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide (CID 90605326) is 2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN(C)c1nc2ccccc2s1.
What is the InChIKey of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide?
The InChIKey is MLOZSZGSUCNUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-4-10-19(11-5-2)15(20)12-18(3)16-17-13-8-6-7-9-14(13)21-16/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide?
2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide has a molecular weight of 305.45 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide is sourced from PubChem (CID 90605326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).