3-methoxy-N-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)azetidine-1-carboxamide

C14H16N4O2S — CID 88996777

IUPAC3-methoxy-N-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)azetidine-1-carboxamide
SMILESCOC1CN(C(=O)Nc2nc(C)c(-c3ccncc3)s2)C1
InChIInChI=1S/C14H16N4O2S/c1-9-12(10-3-5-15-6-4-10)21-13(16-9)17-14(19)18-7-11(8-18)20-2/h3-6,11H,7-8H2,1-2H3,(H,16,17,19)
InChIKeyBOHBHTCEWFECBL-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.38
Rot. Bonds3

About 3-methoxy-N-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)azetidine-1-carboxamide

3-methoxy-N-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)azetidine-1-carboxamide (PubChem CID 88996777) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 3-methoxy-N-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)azetidine-1-carboxamide
PubChem CID88996777
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name3-methoxy-N-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)azetidine-1-carboxamide
SMILESCOC1CN(C(=O)Nc2nc(C)c(-c3ccncc3)s2)C1
InChIInChI=1S/C14H16N4O2S/c1-9-12(10-3-5-15-6-4-10)21-13(16-9)17-14(19)18-7-11(8-18)20-2/h3-6,11H,7-8H2,1-2H3,(H,16,17,19)
InChIKeyBOHBHTCEWFECBL-UHFFFAOYSA-N
XLogP2.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59323900
3-methoxy-N-[4-methyl-5-[(Z)-3-methylidene-5-(propan-2-ylideneamino)pent-4-en-1-ynyl]-1,3-thiazol-2-yl]azetidine-1-carboxamide
CID 91468409
1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea
CID 88996672
1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[1-(1H-pyrrol-2-yl)ethyl]urea
CID 87307472
N-[5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 91606298
N-[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]propanamide
CID 22993762
2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide
CID 42957088
N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 89096129
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methoxypiperidin-1-yl)-2-oxoacetamide
CID 136537954
N-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 82161324
N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986799
4-methyl-N-pyrazin-2-yl-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 11254215

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)azetidine-1-carboxamide?
The IUPAC name of 3-methoxy-N-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)azetidine-1-carboxamide (CID 88996777) is 3-methoxy-N-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-methoxy-N-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-methoxy-N-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)azetidine-1-carboxamide is COC1CN(C(=O)Nc2nc(C)c(-c3ccncc3)s2)C1.
What is the InChIKey of 3-methoxy-N-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)azetidine-1-carboxamide?
The InChIKey is BOHBHTCEWFECBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9-12(10-3-5-15-6-4-10)21-13(16-9)17-14(19)18-7-11(8-18)20-2/h3-6,11H,7-8H2,1-2H3,(H,16,17,19).
What are the key properties of 3-methoxy-N-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)azetidine-1-carboxamide?
3-methoxy-N-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)azetidine-1-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)azetidine-1-carboxamide is sourced from PubChem (CID 88996777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).