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

C14H25Cl2N3OS — CID 119869426

IUPAC(2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCC(C)c1nc(CCNC(=O)[C@H]2CCCCN2)cs1.Cl.Cl
InChIInChI=1S/C14H23N3OS.2ClH/c1-10(2)14-17-11(9-19-14)6-8-16-13(18)12-5-3-4-7-15-12;;/h9-10,12,15H,3-8H2,1-2H3,(H,16,18);2*1H/t12-;;/m1../s1
InChIKeyWSHDOIVPCXAKRG-CURYUGHLSA-N
MW354.35 g/mol
LogP2.91
Rot. Bonds5

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

(2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119869426) has the molecular formula C14H25Cl2N3OS and a molecular weight of 354.35 g/mol. Its IUPAC name is (2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119869426
Molecular FormulaC14H25Cl2N3OS
Molecular Weight354.35 g/mol
Exact Mass353.11
IUPAC Name(2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCC(C)c1nc(CCNC(=O)[C@H]2CCCCN2)cs1.Cl.Cl
InChIInChI=1S/C14H23N3OS.2ClH/c1-10(2)14-17-11(9-19-14)6-8-16-13(18)12-5-3-4-7-15-12;;/h9-10,12,15H,3-8H2,1-2H3,(H,16,18);2*1H/t12-;;/m1../s1
InChIKeyWSHDOIVPCXAKRG-CURYUGHLSA-N
XLogP2.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride
CID 119869432
(2S)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 119900133
cis-(1R,2S)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132098
N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 61285801
2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374029
N-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119842141
5-(4-hydroxyphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazolidine-3-carboxamide
CID 134077046
(3R)-1-cyclopentyl-5-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 97119490
N-[2-(2-methylpropanoylamino)ethyl]azepane-2-carboxamide
CID 64564235
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70724211
(4R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95866555
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride (CID 119869426) is (2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride is CC(C)c1nc(CCNC(=O)[C@H]2CCCCN2)cs1.Cl.Cl.
What is the InChIKey of (2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is WSHDOIVPCXAKRG-CURYUGHLSA-N. The full InChI is InChI=1S/C14H23N3OS.2ClH/c1-10(2)14-17-11(9-19-14)6-8-16-13(18)12-5-3-4-7-15-12;;/h9-10,12,15H,3-8H2,1-2H3,(H,16,18);2*1H/t12-;;/m1../s1.
What are the key properties of (2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride?
(2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 354.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119869426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).