2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol

C15H21N3OS — CID 91806718

IUPAC2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol
SMILESCCCNC1CCN(c2nc3ccc(O)cc3s2)CC1
InChIInChI=1S/C15H21N3OS/c1-2-7-16-11-5-8-18(9-6-11)15-17-13-4-3-12(19)10-14(13)20-15/h3-4,10-11,16,19H,2,5-9H2,1H3
InChIKeyNOZNXWXTMLNUTB-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.97
Rot. Bonds4

About 2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol

2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol (PubChem CID 91806718) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol
PubChem CID91806718
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol
SMILESCCCNC1CCN(c2nc3ccc(O)cc3s2)CC1
InChIInChI=1S/C15H21N3OS/c1-2-7-16-11-5-8-18(9-6-11)15-17-13-4-3-12(19)10-14(13)20-15/h3-4,10-11,16,19H,2,5-9H2,1H3
InChIKeyNOZNXWXTMLNUTB-UHFFFAOYSA-N
XLogP2.97
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-anilinopiperidin-1-yl)-1,3-benzothiazol-6-ol
CID 91441677
2-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]-1,3-benzothiazol-6-ol
CID 91359113
6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole
CID 71083482
N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 171997770
2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
CID 172891718
1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine
CID 72903720
2-[4-(2-fluoroanilino)piperidin-1-yl]-1,3-benzothiazol-5-ol
CID 91133031
ethyl 4-methyl-2-[4-(propylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 67548912
3-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one
CID 72940699
1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine
CID 72879104
ethyl 2-[4-[(2,6-difluorobenzoyl)amino]piperidin-1-yl]-1,3-benzothiazole-6-carboxylate
CID 165390342
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 90609783

Frequently Asked Questions

What is the IUPAC name of 2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol (CID 91806718) is 2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol is CCCNC1CCN(c2nc3ccc(O)cc3s2)CC1.
What is the InChIKey of 2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol?
The InChIKey is NOZNXWXTMLNUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-2-7-16-11-5-8-18(9-6-11)15-17-13-4-3-12(19)10-14(13)20-15/h3-4,10-11,16,19H,2,5-9H2,1H3.
What are the key properties of 2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol?
2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol has a molecular weight of 291.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 91806718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).