2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide

C19H20FN5OS — CID 174577285

IUPAC2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide
SMILESCN1CCN(c2ccc(-c3nc4ccc(NC(=O)CF)cc4s3)cn2)CC1
InChIInChI=1S/C19H20FN5OS/c1-24-6-8-25(9-7-24)17-5-2-13(12-21-17)19-23-15-4-3-14(10-16(15)27-19)22-18(26)11-20/h2-5,10,12H,6-9,11H2,1H3,(H,22,26)
InChIKeyPXHQNSPVXXOKSF-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.02
Rot. Bonds4

About 2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide

2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide (PubChem CID 174577285) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide
PubChem CID174577285
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC Name2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide
SMILESCN1CCN(c2ccc(-c3nc4ccc(NC(=O)CF)cc4s3)cn2)CC1
InChIInChI=1S/C19H20FN5OS/c1-24-6-8-25(9-7-24)17-5-2-13(12-21-17)19-23-15-4-3-14(10-16(15)27-19)22-18(26)11-20/h2-5,10,12H,6-9,11H2,1H3,(H,22,26)
InChIKeyPXHQNSPVXXOKSF-UHFFFAOYSA-N
XLogP3.02
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide with MolForge

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Related Compounds

ethyl N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]carbamate
CID 24803563
[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl] acetate
CID 67276495
4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 123937349
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylpiperazin-1-yl)benzamide
CID 11316678
5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-benzothiophene-2-carboxamide
CID 26126209
1-[2-[6-(4-ethylpiperidin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]prop-2-en-1-one
CID 143516856
2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]acetamide
CID 30859261
2-(4-hexylpiperazin-1-yl)-1-[4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone
CID 177148864
2-(6-morpholin-4-yl-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 117093864
3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 120872707
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
6-[[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325861

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide?
The IUPAC name of 2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide (CID 174577285) is 2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide.
What is the SMILES notation for 2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide?
The canonical SMILES for 2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide is CN1CCN(c2ccc(-c3nc4ccc(NC(=O)CF)cc4s3)cn2)CC1.
What is the InChIKey of 2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide?
The InChIKey is PXHQNSPVXXOKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5OS/c1-24-6-8-25(9-7-24)17-5-2-13(12-21-17)19-23-15-4-3-14(10-16(15)27-19)22-18(26)11-20/h2-5,10,12H,6-9,11H2,1H3,(H,22,26).
What are the key properties of 2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide?
2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide has a molecular weight of 385.47 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide is sourced from PubChem (CID 174577285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).