2-[2-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide

C19H20N4O2S3 — CID 24589864

IUPAC2-[2-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CSc3nc(C)c(CC(N)=O)s3)n2)cc1C
InChIInChI=1S/C19H20N4O2S3/c1-10-4-5-13(6-11(10)2)14-8-26-18(22-14)23-17(25)9-27-19-21-12(3)15(28-19)7-16(20)24/h4-6,8H,7,9H2,1-3H3,(H2,20,24)(H,22,23,25)
InChIKeyRFTRNIIXWPQXTH-UHFFFAOYSA-N
MW432.60 g/mol
LogP3.95
Rot. Bonds7

About 2-[2-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide

2-[2-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide (PubChem CID 24589864) has the molecular formula C19H20N4O2S3 and a molecular weight of 432.60 g/mol. Its IUPAC name is 2-[2-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
PubChem CID24589864
Molecular FormulaC19H20N4O2S3
Molecular Weight432.60 g/mol
Exact Mass432.07
IUPAC Name2-[2-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CSc3nc(C)c(CC(N)=O)s3)n2)cc1C
InChIInChI=1S/C19H20N4O2S3/c1-10-4-5-13(6-11(10)2)14-8-26-18(22-14)23-17(25)9-27-19-21-12(3)15(28-19)7-16(20)24/h4-6,8H,7,9H2,1-3H3,(H2,20,24)(H,22,23,25)
InChIKeyRFTRNIIXWPQXTH-UHFFFAOYSA-N
XLogP3.95
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.60
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 24589851
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7797192
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021873
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 18586091
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide
CID 19727876
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19716324
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 39020238
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4790167
2-[2-[2-(3,5-difluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 46683651
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19716797
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(4,5-dimethylthiophen-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19720861
3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19183949

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of 2-[2-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide (CID 24589864) is 2-[2-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for 2-[2-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for 2-[2-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide is Cc1ccc(-c2csc(NC(=O)CSc3nc(C)c(CC(N)=O)s3)n2)cc1C.
What is the InChIKey of 2-[2-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is RFTRNIIXWPQXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S3/c1-10-4-5-13(6-11(10)2)14-8-26-18(22-14)23-17(25)9-27-19-21-12(3)15(28-19)7-16(20)24/h4-6,8H,7,9H2,1-3H3,(H2,20,24)(H,22,23,25).
What are the key properties of 2-[2-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
2-[2-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 432.60 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 24589864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).