2-methoxy-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]benzamide

C14H14N2O3S2 — CID 24981675

IUPAC2-methoxy-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=O)CSc1nc(C)cs1
InChIInChI=1S/C14H14N2O3S2/c1-9-7-20-14(15-9)21-8-12(17)16-13(18)10-5-3-4-6-11(10)19-2/h3-7H,8H2,1-2H3,(H,16,17,18)
InChIKeyRHPAQSYTTJVCSA-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.51
Rot. Bonds5

About 2-methoxy-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]benzamide

2-methoxy-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]benzamide (PubChem CID 24981675) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-methoxy-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]benzamide
PubChem CID24981675
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Name2-methoxy-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=O)CSc1nc(C)cs1
InChIInChI=1S/C14H14N2O3S2/c1-9-7-20-14(15-9)21-8-12(17)16-13(18)10-5-3-4-6-11(10)19-2/h3-7H,8H2,1-2H3,(H,16,17,18)
InChIKeyRHPAQSYTTJVCSA-UHFFFAOYSA-N
XLogP2.51
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2098654
2-methoxy-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2542040
2-methoxy-N-(2-{2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}ethyl)benzamide
CID 7287525
2-{[1-(methylsulfonyl)piperidin-4-yl]oxy}-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 16189568
2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 23613053
(5Z)-5-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 137649962
2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35541451
2-ethoxy-N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7518481
(2-Methoxyphenyl)(2-phenylthiazol-4-yl)methanone
CID 25258604
2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2072952
2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 695180
2-ethoxy-N-{2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7119214

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]benzamide (CID 24981675) is 2-methoxy-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]benzamide is COc1ccccc1C(=O)NC(=O)CSc1nc(C)cs1.
What is the InChIKey of 2-methoxy-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]benzamide?
The InChIKey is RHPAQSYTTJVCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-9-7-20-14(15-9)21-8-12(17)16-13(18)10-5-3-4-6-11(10)19-2/h3-7H,8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-methoxy-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]benzamide?
2-methoxy-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]benzamide is sourced from PubChem (CID 24981675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).