1-(cyclopropanecarbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide

C13H19N3O2S — CID 47099504

IUPAC1-(cyclopropanecarbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NC1=NCCS1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H19N3O2S/c17-11(15-13-14-5-8-19-13)9-3-6-16(7-4-9)12(18)10-1-2-10/h9-10H,1-8H2,(H,14,15,17)
InChIKeyRPGXZCRQUQFVBJ-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.85
Rot. Bonds2

About 1-(cyclopropanecarbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 47099504) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID47099504
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-(cyclopropanecarbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NC1=NCCS1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H19N3O2S/c17-11(15-13-14-5-8-19-13)9-3-6-16(7-4-9)12(18)10-1-2-10/h9-10H,1-8H2,(H,14,15,17)
InChIKeyRPGXZCRQUQFVBJ-UHFFFAOYSA-N
XLogP0.85
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetyl]piperidine-4-carboxamide
CID 108530780
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 1429043
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
1-(cyclopropanecarbonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 26067271
N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26251597
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
N-cyclopropyl-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108530766
N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 31490504
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 75420475
trans-(1R,2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 95571335
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 651491
1-(adamantane-1-carbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 75361991

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 47099504) is 1-(cyclopropanecarbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide is O=C(NC1=NCCS1)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is RPGXZCRQUQFVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-11(15-13-14-5-8-19-13)9-3-6-16(7-4-9)12(18)10-1-2-10/h9-10H,1-8H2,(H,14,15,17).
What are the key properties of 1-(cyclopropanecarbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 47099504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).