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

C18H23N5O2S — CID 136517057

IUPACN-[[2-(4-carbamoylpiperidin-1-yl)-3-pyridinyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncsc1C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H23N5O2S/c1-2-14-15(26-11-22-14)18(25)21-10-13-4-3-7-20-17(13)23-8-5-12(6-9-23)16(19)24/h3-4,7,11-12H,2,5-6,8-10H2,1H3,(H2,19,24)(H,21,25)
InChIKeyNJMFCPWYAQVDNH-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.73
Rot. Bonds6

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

N-[[2-(4-carbamoylpiperidin-1-yl)-3-pyridinyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 136517057) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[[2-(4-carbamoylpiperidin-1-yl)-3-pyridinyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-carbamoylpiperidin-1-yl)-3-pyridinyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide
PubChem CID136517057
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-[[2-(4-carbamoylpiperidin-1-yl)-3-pyridinyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncsc1C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H23N5O2S/c1-2-14-15(26-11-22-14)18(25)21-10-13-4-3-7-20-17(13)23-8-5-12(6-9-23)16(19)24/h3-4,7,11-12H,2,5-6,8-10H2,1H3,(H2,19,24)(H,21,25)
InChIKeyNJMFCPWYAQVDNH-UHFFFAOYSA-N
XLogP1.73
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[[[N-[(2-ethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111635995
1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 103880534
1-[3-[[[ethylamino-[(2-ethylphenyl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;hydroiodide
CID 111635325
1-[3-[[[ethylamino-[(2-ethylphenyl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111635326
1-[3-[[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 110992163
1-[3-[[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111244267
1-[3-[[(2-anilinoacetyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride
CID 119877052
4-[[2-(4-carbamoylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]-2,2-dimethylbutanoic acid
CID 122126560
1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 56827310
1-[3-[[[N'-methyl-N-(4-methylsulfanylbutyl)carbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111626458
1-[3-[[[N-ethyl-N'-[(3-methoxyphenyl)methyl]carbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111250783
1-[3-[[[N'-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111420655

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-carbamoylpiperidin-1-yl)-3-pyridinyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[2-(4-carbamoylpiperidin-1-yl)-3-pyridinyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide (CID 136517057) is N-[[2-(4-carbamoylpiperidin-1-yl)-3-pyridinyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[2-(4-carbamoylpiperidin-1-yl)-3-pyridinyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[2-(4-carbamoylpiperidin-1-yl)-3-pyridinyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide is CCc1ncsc1C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1.
What is the InChIKey of N-[[2-(4-carbamoylpiperidin-1-yl)-3-pyridinyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is NJMFCPWYAQVDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-2-14-15(26-11-22-14)18(25)21-10-13-4-3-7-20-17(13)23-8-5-12(6-9-23)16(19)24/h3-4,7,11-12H,2,5-6,8-10H2,1H3,(H2,19,24)(H,21,25).
What are the key properties of N-[[2-(4-carbamoylpiperidin-1-yl)-3-pyridinyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide?
N-[[2-(4-carbamoylpiperidin-1-yl)-3-pyridinyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-carbamoylpiperidin-1-yl)-3-pyridinyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 136517057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).