(2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone

C15H20N4OS — CID 60656782

IUPAC(2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2ccc3nc(N)sc3c2)CC1
InChIInChI=1S/C15H20N4OS/c1-2-5-18-6-8-19(9-7-18)14(20)11-3-4-12-13(10-11)21-15(16)17-12/h3-4,10H,2,5-9H2,1H3,(H2,16,17)
InChIKeyGLAXJDJGTYNQSV-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.05
Rot. Bonds3

About (2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone

(2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone (PubChem CID 60656782) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is (2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone
PubChem CID60656782
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name(2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2ccc3nc(N)sc3c2)CC1
InChIInChI=1S/C15H20N4OS/c1-2-5-18-6-8-19(9-7-18)14(20)11-3-4-12-13(10-11)21-15(16)17-12/h3-4,10H,2,5-9H2,1H3,(H2,16,17)
InChIKeyGLAXJDJGTYNQSV-UHFFFAOYSA-N
XLogP2.05
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride
CID 75366132
(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone
CID 20889798
(2-amino-1,3-benzothiazol-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 65349242
(2-amino-1,3-benzothiazol-6-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 65349015
(2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79180940
(2-amino-1,3-benzothiazol-6-yl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220608
3-(4-propylpiperazine-1-carbonyl)benzenecarbothioamide
CID 24689662
4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one
CID 60636409
1-(2-amino-1,3-benzothiazole-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65349267
(3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789157
3-(4-propylpiperazine-1-carbonyl)benzoic acid
CID 43452662
(2-amino-1,3-benzothiazol-6-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107217968

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone (CID 60656782) is (2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2ccc3nc(N)sc3c2)CC1.
What is the InChIKey of (2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone?
The InChIKey is GLAXJDJGTYNQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-2-5-18-6-8-19(9-7-18)14(20)11-3-4-12-13(10-11)21-15(16)17-12/h3-4,10H,2,5-9H2,1H3,(H2,16,17).
What are the key properties of (2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone?
(2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone has a molecular weight of 304.42 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 60656782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).