2-(1,3-thiazol-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide

C14H18N4OS2 — CID 127610500

IUPAC2-(1,3-thiazol-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1cscn1)N1CCCCC1c1nccs1
InChIInChI=1S/C14H18N4OS2/c19-14(16-5-4-11-9-20-10-17-11)18-7-2-1-3-12(18)13-15-6-8-21-13/h6,8-10,12H,1-5,7H2,(H,16,19)
InChIKeyLTNDGQMLEDSUJW-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.08
Rot. Bonds4

About 2-(1,3-thiazol-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide

2-(1,3-thiazol-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide (PubChem CID 127610500) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
PubChem CID127610500
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name2-(1,3-thiazol-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1cscn1)N1CCCCC1c1nccs1
InChIInChI=1S/C14H18N4OS2/c19-14(16-5-4-11-9-20-10-17-11)18-7-2-1-3-12(18)13-15-6-8-21-13/h6,8-10,12H,1-5,7H2,(H,16,19)
InChIKeyLTNDGQMLEDSUJW-UHFFFAOYSA-N
XLogP3.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 121495520
(2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 125143068
2-[1-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 63825245
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 124608851
(2R)-N-(2,6-difluorophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97445838
1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 84516169
4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid
CID 63824344
(2R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 126446067
(4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95770198
3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 72915818
1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390073

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 2-(1,3-thiazol-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide (CID 127610500) is 2-(1,3-thiazol-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide is O=C(NCCc1cscn1)N1CCCCC1c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is LTNDGQMLEDSUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c19-14(16-5-4-11-9-20-10-17-11)18-7-2-1-3-12(18)13-15-6-8-21-13/h6,8-10,12H,1-5,7H2,(H,16,19).
What are the key properties of 2-(1,3-thiazol-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
2-(1,3-thiazol-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 322.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 127610500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).