methyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate

C17H19N3O5S — CID 121017376

IUPACmethyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccc(OCC3CCOCC3)nc2)s1
InChIInChI=1S/C17H19N3O5S/c1-23-16(22)13-9-19-17(26-13)20-15(21)12-2-3-14(18-8-12)25-10-11-4-6-24-7-5-11/h2-3,8-9,11H,4-7,10H2,1H3,(H,19,20,21)
InChIKeyOLQWFHHZIVISJN-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.38
Rot. Bonds6

About methyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate

methyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 121017376) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is methyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID121017376
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Namemethyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccc(OCC3CCOCC3)nc2)s1
InChIInChI=1S/C17H19N3O5S/c1-23-16(22)13-9-19-17(26-13)20-15(21)12-2-3-14(18-8-12)25-10-11-4-6-24-7-5-11/h2-3,8-9,11H,4-7,10H2,1H3,(H,19,20,21)
InChIKeyOLQWFHHZIVISJN-UHFFFAOYSA-N
XLogP2.38
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

6-(oxan-4-ylmethoxy)-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 91815413
N,N-dimethyl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815390
N-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815403
methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103549
N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815404
N-(furan-2-ylmethyl)-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815405
tert-butyl N-[3-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]propyl]carbamate
CID 91815444
2-[[6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127480
methyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 124875567
methyl 2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18103750
2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 121017397
methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103744

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate (CID 121017376) is methyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)c2ccc(OCC3CCOCC3)nc2)s1.
What is the InChIKey of methyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is OLQWFHHZIVISJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-23-16(22)13-9-19-17(26-13)20-15(21)12-2-3-14(18-8-12)25-10-11-4-6-24-7-5-11/h2-3,8-9,11H,4-7,10H2,1H3,(H,19,20,21).
What are the key properties of methyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 377.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 121017376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).