1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine

C19H21N3OS — CID 11279222

IUPAC1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C19H21N3OS/c20-15-9-11-22(12-10-15)13-14-5-7-16(8-6-14)23-19-21-17-3-1-2-4-18(17)24-19/h1-8,15H,9-13,20H2
InChIKeyBTYHUCROUVOSFY-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.01
Rot. Bonds4

About 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine

1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine (PubChem CID 11279222) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine
PubChem CID11279222
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C19H21N3OS/c20-15-9-11-22(12-10-15)13-14-5-7-16(8-6-14)23-19-21-17-3-1-2-4-18(17)24-19/h1-8,15H,9-13,20H2
InChIKeyBTYHUCROUVOSFY-UHFFFAOYSA-N
XLogP4.01
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]methylcarbamic acid;cyclobutanamine
CID 69154975
1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 69147289
4-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]butanoic acid
CID 91542676
2-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenoxy]-1,3-benzothiazole
CID 91258771
ethyl N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]carbamate
CID 59989101
3-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea
CID 59989169
2-[4-[(4-methylsulfinylpiperazin-1-yl)methyl]phenoxy]-1,3-benzothiazole
CID 142996899
1-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-3-ethylthiourea
CID 59989113
2-[4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenoxy]-1,3-benzothiazole
CID 67303541
1-[5-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]ethanone
CID 42599340
2-[4-[2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]phenoxy]-1,3-benzothiazole
CID 91111020
2-[4-[2-(azepan-1-yl)ethyl]phenoxy]-1,3-benzothiazole
CID 11451021

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine (CID 11279222) is 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine is NC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1.
What is the InChIKey of 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine?
The InChIKey is BTYHUCROUVOSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c20-15-9-11-22(12-10-15)13-14-5-7-16(8-6-14)23-19-21-17-3-1-2-4-18(17)24-19/h1-8,15H,9-13,20H2.
What are the key properties of 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine?
1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine has a molecular weight of 339.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 11279222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).