N'-(3-methyl-1,2-thiazol-5-yl)-N-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]oxamide

C14H17N3O3S — CID 154847053

IUPACN'-(3-methyl-1,2-thiazol-5-yl)-N-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]oxamide
SMILESCc1cc(NC(=O)C(=O)NC[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)sn1
InChIInChI=1S/C14H17N3O3S/c1-6-2-11(21-17-6)16-14(19)13(18)15-5-7-3-10-8-4-9(8)12(7)20-10/h2,7-10,12H,3-5H2,1H3,(H,15,18)(H,16,19)/t7-,8+,9-,10-,12+/m0/s1
InChIKeyHQAWZEAQXDXFQY-YXZBHFDYSA-N
MW307.38 g/mol
LogP0.93
Rot. Bonds3

About N'-(3-methyl-1,2-thiazol-5-yl)-N-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]oxamide

N'-(3-methyl-1,2-thiazol-5-yl)-N-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]oxamide (PubChem CID 154847053) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N'-(3-methyl-1,2-thiazol-5-yl)-N-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(3-methyl-1,2-thiazol-5-yl)-N-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]oxamide
PubChem CID154847053
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN'-(3-methyl-1,2-thiazol-5-yl)-N-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]oxamide
SMILESCc1cc(NC(=O)C(=O)NC[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)sn1
InChIInChI=1S/C14H17N3O3S/c1-6-2-11(21-17-6)16-14(19)13(18)15-5-7-3-10-8-4-9(8)12(7)20-10/h2,7-10,12H,3-5H2,1H3,(H,15,18)(H,16,19)/t7-,8+,9-,10-,12+/m0/s1
InChIKeyHQAWZEAQXDXFQY-YXZBHFDYSA-N
XLogP0.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(3-methyl-1,2-thiazol-5-yl)-N-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]oxamide with MolForge

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Related Compounds

1-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 154846724
(E)-2,3-dichloro-4-[(3-methyl-1,2-thiazol-5-yl)amino]-4-oxobut-2-enoic acid
CID 134108991
N-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 167759417
1-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]urea
CID 167901737
2-methyl-N-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carboxamide
CID 167915062
sodium (1S,5R)-5-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methylcarbamoyl]bicyclo[3.1.0]hexane-1-carboxylate
CID 154871248
1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea
CID 91286178
N-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506093
N'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41452901
2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 71856052
2-[4-(4-cyanophenoxy)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide
CID 11068060
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide
CID 90520395

Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-1,2-thiazol-5-yl)-N-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]oxamide?
The IUPAC name of N'-(3-methyl-1,2-thiazol-5-yl)-N-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]oxamide (CID 154847053) is N'-(3-methyl-1,2-thiazol-5-yl)-N-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]oxamide.
What is the SMILES notation for N'-(3-methyl-1,2-thiazol-5-yl)-N-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]oxamide?
The canonical SMILES for N'-(3-methyl-1,2-thiazol-5-yl)-N-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]oxamide is Cc1cc(NC(=O)C(=O)NC[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)sn1.
What is the InChIKey of N'-(3-methyl-1,2-thiazol-5-yl)-N-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]oxamide?
The InChIKey is HQAWZEAQXDXFQY-YXZBHFDYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-6-2-11(21-17-6)16-14(19)13(18)15-5-7-3-10-8-4-9(8)12(7)20-10/h2,7-10,12H,3-5H2,1H3,(H,15,18)(H,16,19)/t7-,8+,9-,10-,12+/m0/s1.
What are the key properties of N'-(3-methyl-1,2-thiazol-5-yl)-N-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]oxamide?
N'-(3-methyl-1,2-thiazol-5-yl)-N-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]oxamide has a molecular weight of 307.38 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-1,2-thiazol-5-yl)-N-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]oxamide is sourced from PubChem (CID 154847053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).