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

C12H20N4OS — CID 104584924

IUPAC4-[2-(1,3-thiazol-2-yl)propylamino]piperidine-1-carboxamide
SMILESCC(CNC1CCN(C(N)=O)CC1)c1nccs1
InChIInChI=1S/C12H20N4OS/c1-9(11-14-4-7-18-11)8-15-10-2-5-16(6-3-10)12(13)17/h4,7,9-10,15H,2-3,5-6,8H2,1H3,(H2,13,17)
InChIKeyQPUDPAQCXOGVLJ-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.38
Rot. Bonds4

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

4-[2-(1,3-thiazol-2-yl)propylamino]piperidine-1-carboxamide (PubChem CID 104584924) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-[2-(1,3-thiazol-2-yl)propylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(1,3-thiazol-2-yl)propylamino]piperidine-1-carboxamide
PubChem CID104584924
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-[2-(1,3-thiazol-2-yl)propylamino]piperidine-1-carboxamide
SMILESCC(CNC1CCN(C(N)=O)CC1)c1nccs1
InChIInChI=1S/C12H20N4OS/c1-9(11-14-4-7-18-11)8-15-10-2-5-16(6-3-10)12(13)17/h4,7,9-10,15H,2-3,5-6,8H2,1H3,(H2,13,17)
InChIKeyQPUDPAQCXOGVLJ-UHFFFAOYSA-N
XLogP1.38
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(Cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 56781501
1-[1-[3-(1,3-Thiazol-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 56818955
1-[1-[3-(1,3-Thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
CID 56821751
2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 71990369
1-[2-Oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one
CID 72138586
1-(Cyclobutylmethyl)-1-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 56787657
2,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
CID 72002932
1-[1-(2-Methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 72129756
1-pentyl-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea
CID 97215596
1-(2-cyclopentylethyl)-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 97558309
ethyl 4-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate
CID 97611339
1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea
CID 99823672

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-thiazol-2-yl)propylamino]piperidine-1-carboxamide?
The IUPAC name of 4-[2-(1,3-thiazol-2-yl)propylamino]piperidine-1-carboxamide (CID 104584924) is 4-[2-(1,3-thiazol-2-yl)propylamino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(1,3-thiazol-2-yl)propylamino]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(1,3-thiazol-2-yl)propylamino]piperidine-1-carboxamide is CC(CNC1CCN(C(N)=O)CC1)c1nccs1.
What is the InChIKey of 4-[2-(1,3-thiazol-2-yl)propylamino]piperidine-1-carboxamide?
The InChIKey is QPUDPAQCXOGVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-9(11-14-4-7-18-11)8-15-10-2-5-16(6-3-10)12(13)17/h4,7,9-10,15H,2-3,5-6,8H2,1H3,(H2,13,17).
What are the key properties of 4-[2-(1,3-thiazol-2-yl)propylamino]piperidine-1-carboxamide?
4-[2-(1,3-thiazol-2-yl)propylamino]piperidine-1-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-thiazol-2-yl)propylamino]piperidine-1-carboxamide is sourced from PubChem (CID 104584924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).