1-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

C17H18N6O2S — CID 16670610

IUPAC1-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESO=C(c1nc2ccccc2s1)C1CCN(C(=O)CCn2cnnn2)CC1
InChIInChI=1S/C17H18N6O2S/c24-15(7-10-23-11-18-20-21-23)22-8-5-12(6-9-22)16(25)17-19-13-3-1-2-4-14(13)26-17/h1-4,11-12H,5-10H2
InChIKeyWIHMABURUVACJM-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.79
Rot. Bonds5

About 1-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

1-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (PubChem CID 16670610) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
PubChem CID16670610
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name1-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESO=C(c1nc2ccccc2s1)C1CCN(C(=O)CCn2cnnn2)CC1
InChIInChI=1S/C17H18N6O2S/c24-15(7-10-23-11-18-20-21-23)22-8-5-12(6-9-22)16(25)17-19-13-3-1-2-4-14(13)26-17/h1-4,11-12H,5-10H2
InChIKeyWIHMABURUVACJM-UHFFFAOYSA-N
XLogP1.79
TPSA93.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1,3-thiazolidine-2,4-dione
CID 16670913
2-[2-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 16670594
(4-aminocyclohexyl)-(1,3-benzothiazol-2-yl)methanone
CID 67315824
1-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-2-(benzotriazol-1-yl)propan-1-one
CID 110214266
N,N-dimethyl-3-[(3S)-1-[3-(tetrazol-1-yl)propanoyl]pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 95812767
N,N-dimethyl-3-[1-[3-(tetrazol-1-yl)propanoyl]pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 110251166
N,N-dimethyl-3-[(3R)-1-[3-(tetrazol-1-yl)propanoyl]pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 95812768
N-[4-(tetrazol-1-yl)phenyl]-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxamide
CID 72919387
1-[4-[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78853222
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 70711037
methyl 1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidine-4-carboxylate
CID 2516173
3-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 60629326

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (CID 16670610) is 1-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is O=C(c1nc2ccccc2s1)C1CCN(C(=O)CCn2cnnn2)CC1.
What is the InChIKey of 1-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The InChIKey is WIHMABURUVACJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c24-15(7-10-23-11-18-20-21-23)22-8-5-12(6-9-22)16(25)17-19-13-3-1-2-4-14(13)26-17/h1-4,11-12H,5-10H2.
What are the key properties of 1-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
1-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one has a molecular weight of 370.44 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 16670610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).