N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C17H25N3O2S — CID 99841536

IUPACN-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOCC1=CCN(C(=O)Nc2nc3c(s2)CCCCCC3)CC1
InChIInChI=1S/C17H25N3O2S/c1-22-12-13-8-10-20(11-9-13)17(21)19-16-18-14-6-4-2-3-5-7-15(14)23-16/h8H,2-7,9-12H2,1H3,(H,18,19,21)
InChIKeyDQCVBLDFMGJYHP-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.61
Rot. Bonds3

About N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 99841536) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID99841536
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOCC1=CCN(C(=O)Nc2nc3c(s2)CCCCCC3)CC1
InChIInChI=1S/C17H25N3O2S/c1-22-12-13-8-10-20(11-9-13)17(21)19-16-18-14-6-4-2-3-5-7-15(14)23-16/h8H,2-7,9-12H2,1H3,(H,18,19,21)
InChIKeyDQCVBLDFMGJYHP-UHFFFAOYSA-N
XLogP3.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide
CID 91641522
ethyl 1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylate
CID 102556073
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methoxyacetamide
CID 47379488
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 48574705
(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81126323
9-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 86778048
3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 121197644
(1R)-2,2-dimethyl-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-thiazinane-4-carboxamide
CID 97227887
N-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114412428
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
N-(2-chloroacetyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114412226

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 99841536) is N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is COCC1=CCN(C(=O)Nc2nc3c(s2)CCCCCC3)CC1.
What is the InChIKey of N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is DQCVBLDFMGJYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-22-12-13-8-10-20(11-9-13)17(21)19-16-18-14-6-4-2-3-5-7-15(14)23-16/h8H,2-7,9-12H2,1H3,(H,18,19,21).
What are the key properties of N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 99841536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).