N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide

C14H16N2O2S2 — CID 46622345

IUPACN-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2nc(C)cs2)cc1
InChIInChI=1S/C14H16N2O2S2/c1-9-8-19-14(15-9)20-10(2)13(17)16-11-4-6-12(18-3)7-5-11/h4-8,10H,1-3H3,(H,16,17)
InChIKeyMPSCCMPXRHKASA-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.58
Rot. Bonds5

About N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide

N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 46622345) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
PubChem CID46622345
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC NameN-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2nc(C)cs2)cc1
InChIInChI=1S/C14H16N2O2S2/c1-9-8-19-14(15-9)20-10(2)13(17)16-11-4-6-12(18-3)7-5-11/h4-8,10H,1-3H3,(H,16,17)
InChIKeyMPSCCMPXRHKASA-UHFFFAOYSA-N
XLogP3.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 8936643
(2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7499741
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 8936694
(2R)-N-(2-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2086791
N-(3-amino-4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 43104704
N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 46622493
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 46669341
N-(3-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 43187503
(2S)-N-(3-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2532586
N-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 51235539
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 8936856
(2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 8939799

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 46622345) is N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is COc1ccc(NC(=O)C(C)Sc2nc(C)cs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The InChIKey is MPSCCMPXRHKASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-9-8-19-14(15-9)20-10(2)13(17)16-11-4-6-12(18-3)7-5-11/h4-8,10H,1-3H3,(H,16,17).
What are the key properties of N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 308.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 46622345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).