N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide

C14H22N4O2S — CID 74248067

IUPACN-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCN2CCCC(C(N)=O)C2)c(C)s1
InChIInChI=1S/C14H22N4O2S/c1-9-12(17-10(2)21-9)14(20)16-5-7-18-6-3-4-11(8-18)13(15)19/h11H,3-8H2,1-2H3,(H2,15,19)(H,16,20)
InChIKeyYRUDOONXBZCYPZ-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.69
Rot. Bonds5

About N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide

N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 74248067) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID74248067
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCN2CCCC(C(N)=O)C2)c(C)s1
InChIInChI=1S/C14H22N4O2S/c1-9-12(17-10(2)21-9)14(20)16-5-7-18-6-3-4-11(8-18)13(15)19/h11H,3-8H2,1-2H3,(H2,15,19)(H,16,20)
InChIKeyYRUDOONXBZCYPZ-UHFFFAOYSA-N
XLogP0.69
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide
CID 72871250
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 74240532
N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide
CID 97277175
2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 94115528
(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 28733147
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide
CID 77084193
1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 74246457
(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 99944023
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 143940533
1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide
CID 72854350
(3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide
CID 97271140
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 74251449

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide (CID 74248067) is N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCN2CCCC(C(N)=O)C2)c(C)s1.
What is the InChIKey of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is YRUDOONXBZCYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-9-12(17-10(2)21-9)14(20)16-5-7-18-6-3-4-11(8-18)13(15)19/h11H,3-8H2,1-2H3,(H2,15,19)(H,16,20).
What are the key properties of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide?
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 74248067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).