1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C16H17N3O3S — CID 46907672

IUPAC1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccc4c(c3)OCO4)cs2)CC1
InChIInChI=1S/C16H17N3O3S/c17-15(20)10-3-5-19(6-4-10)16-18-12(8-23-16)11-1-2-13-14(7-11)22-9-21-13/h1-2,7-8,10H,3-6,9H2,(H2,17,20)
InChIKeyTYBKLUUTTBJHEE-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.24
Rot. Bonds3

About 1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907672) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907672
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccc4c(c3)OCO4)cs2)CC1
InChIInChI=1S/C16H17N3O3S/c17-15(20)10-3-5-19(6-4-10)16-18-12(8-23-16)11-1-2-13-14(7-11)22-9-21-13/h1-2,7-8,10H,3-6,9H2,(H2,17,20)
InChIKeyTYBKLUUTTBJHEE-UHFFFAOYSA-N
XLogP2.24
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Benzo(1,3)dioxol-5-yl-thiazol-2-ylamine
CID 727580
4-[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 653894
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 8961860
(2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
CID 16245514
3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 24818334
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2945485
2-(1,3-benzodioxol-5-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 41107723
1-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144332
1-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144346
1-[4-(3-Propan-2-yloxyphenyl)-2-thiazolyl]-4-piperidinecarboxamide
CID 46907658
1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiazolyl]-4-piperidinecarboxamide
CID 46907714

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 46907672) is 1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(-c3ccc4c(c3)OCO4)cs2)CC1.
What is the InChIKey of 1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is TYBKLUUTTBJHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c17-15(20)10-3-5-19(6-4-10)16-18-12(8-23-16)11-1-2-13-14(7-11)22-9-21-13/h1-2,7-8,10H,3-6,9H2,(H2,17,20).
What are the key properties of 1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).