N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide

C15H19N3O2S2 — CID 47061837

IUPACN-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide
SMILESCOCCNc1nc(-c2ccc(NC(C)=O)c(SC)c2)cs1
InChIInChI=1S/C15H19N3O2S2/c1-10(19)17-12-5-4-11(8-14(12)21-3)13-9-22-15(18-13)16-6-7-20-2/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyRJHOTFYOMTZTGM-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.55
Rot. Bonds7

About N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide

N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide (PubChem CID 47061837) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide
PubChem CID47061837
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC NameN-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide
SMILESCOCCNc1nc(-c2ccc(NC(C)=O)c(SC)c2)cs1
InChIInChI=1S/C15H19N3O2S2/c1-10(19)17-12-5-4-11(8-14(12)21-3)13-9-22-15(18-13)16-6-7-20-2/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyRJHOTFYOMTZTGM-UHFFFAOYSA-N
XLogP3.55
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-methylsulfanyl-4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 47061906
N-[2-methylsulfanyl-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 47061841
N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide
CID 8962073
4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962099
N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 62941456
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyethyl)urea
CID 45497113
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 2466930
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 16963342
2-(2-methoxyethylamino)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 16963194
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)propanamide
CID 86949975
methyl 6-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]hexanoate
CID 17396535
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 30108495

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide (CID 47061837) is N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide is COCCNc1nc(-c2ccc(NC(C)=O)c(SC)c2)cs1.
What is the InChIKey of N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide?
The InChIKey is RJHOTFYOMTZTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-10(19)17-12-5-4-11(8-14(12)21-3)13-9-22-15(18-13)16-6-7-20-2/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide?
N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide has a molecular weight of 337.47 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 47061837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).