N-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide

C14H13N3O2S — CID 110374780

IUPACN-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide
SMILESCOCc1nc(CC(=O)Nc2cccc(C#N)c2)cs1
InChIInChI=1S/C14H13N3O2S/c1-19-8-14-17-12(9-20-14)6-13(18)16-11-4-2-3-10(5-11)7-15/h2-5,9H,6,8H2,1H3,(H,16,18)
InChIKeyDNMRUUCYVRHSDE-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.34
Rot. Bonds5

About N-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide

N-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110374780) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110374780
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide
SMILESCOCc1nc(CC(=O)Nc2cccc(C#N)c2)cs1
InChIInChI=1S/C14H13N3O2S/c1-19-8-14-17-12(9-20-14)6-13(18)16-11-4-2-3-10(5-11)7-15/h2-5,9H,6,8H2,1H3,(H,16,18)
InChIKeyDNMRUUCYVRHSDE-UHFFFAOYSA-N
XLogP2.34
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide
CID 82547638
N-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389703
N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8927230
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110374734
2-[2-[(3-cyanoanilino)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82124046
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(methoxymethyl)phenyl]acetamide
CID 62799415
N-(3-cyanophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 110428502
N-(5-cyano-2-methoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 49182333
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
3-[2-(methoxymethyl)-1,3-thiazol-4-yl]benzonitrile
CID 55220678
N-(3-cyanophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329578

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide (CID 110374780) is N-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide is COCc1nc(CC(=O)Nc2cccc(C#N)c2)cs1.
What is the InChIKey of N-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is DNMRUUCYVRHSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-19-8-14-17-12(9-20-14)6-13(18)16-11-4-2-3-10(5-11)7-15/h2-5,9H,6,8H2,1H3,(H,16,18).
What are the key properties of N-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide?
N-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 287.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110374780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).