N-[4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]acetamide

C12H13N3O2S — CID 71867421

IUPACN-[4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(COc2ccc(C)cn2)cs1
InChIInChI=1S/C12H13N3O2S/c1-8-3-4-11(13-5-8)17-6-10-7-18-12(15-10)14-9(2)16/h3-5,7H,6H2,1-2H3,(H,14,15,16)
InChIKeyRDDIIGUSQRQSGQ-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.38
Rot. Bonds4

About N-[4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]acetamide

N-[4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 71867421) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID71867421
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(COc2ccc(C)cn2)cs1
InChIInChI=1S/C12H13N3O2S/c1-8-3-4-11(13-5-8)17-6-10-7-18-12(15-10)14-9(2)16/h3-5,7H,6H2,1-2H3,(H,14,15,16)
InChIKeyRDDIIGUSQRQSGQ-UHFFFAOYSA-N
XLogP2.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 5056270
(2-Methoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 704576
2-(3-Fluorophenoxy)-N-(4-(pyridin-2-yl)thiazol-2-yl)acetamide
CID 2660519
3-(Benzyloxy)-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 16660015
3-(Benzyloxy)-5-Methyl-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 59225669
(4-Ethoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 869831
2-(2-Fluorophenoxy)-N-(4-(pyridin-2-yl)thiazol-2-yl)acetamide
CID 4803466
2-(2-methylphenoxy)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 8123738
2-(2-chlorophenoxy)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 8123753
2-(3-methylphenoxy)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 16305869
Acetic acid 4-[2-(pyridin-2-ylamino)-thiazol-4-yl]-phenyl ester
CID 972354
2-(4-methoxyphenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 2123970

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]acetamide (CID 71867421) is N-[4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(COc2ccc(C)cn2)cs1.
What is the InChIKey of N-[4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is RDDIIGUSQRQSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-3-4-11(13-5-8)17-6-10-7-18-12(15-10)14-9(2)16/h3-5,7H,6H2,1-2H3,(H,14,15,16).
What are the key properties of N-[4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 263.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 71867421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).