N-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide

C17H25N5O2S2 — CID 155873912

IUPACN-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(Nc2nccs2)CCN(Cc2scnc2C)CC1
InChIInChI=1S/C17H25N5O2S2/c1-13-14(26-12-20-13)11-22-7-3-17(4-8-22,15(23)18-5-9-24-2)21-16-19-6-10-25-16/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyOBSWZWYPRKAPSO-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.12
Rot. Bonds8

About N-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide

N-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide (PubChem CID 155873912) has the molecular formula C17H25N5O2S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
PubChem CID155873912
Molecular FormulaC17H25N5O2S2
Molecular Weight395.55 g/mol
Exact Mass395.14
IUPAC NameN-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(Nc2nccs2)CCN(Cc2scnc2C)CC1
InChIInChI=1S/C17H25N5O2S2/c1-13-14(26-12-20-13)11-22-7-3-17(4-8-22,15(23)18-5-9-24-2)21-16-19-6-10-25-16/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyOBSWZWYPRKAPSO-UHFFFAOYSA-N
XLogP2.12
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 155874048
N-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873927
formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155874464
N-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873343
N-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873799
4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 171682245
N-(2-methoxyethyl)-2-[(8R)-8-methyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide
CID 124811936
1-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155877770
(3aS,7aS)-N-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 124791125
1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155871558
3-(3-fluoroanilino)-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 155874713
(2R,3aS,7aS)-N-(2-methoxyethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155835193

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide (CID 155873912) is N-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide is COCCNC(=O)C1(Nc2nccs2)CCN(Cc2scnc2C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The InChIKey is OBSWZWYPRKAPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S2/c1-13-14(26-12-20-13)11-22-7-3-17(4-8-22,15(23)18-5-9-24-2)21-16-19-6-10-25-16/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,18,23)(H,19,21).
What are the key properties of N-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
N-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide is sourced from PubChem (CID 155873912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).