2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-dipropylacetamide

C20H27N3O2S2 — CID 16899389

IUPAC2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1csc(SCC(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C20H27N3O2S2/c1-4-10-23(11-5-2)19(25)12-17-13-26-20(22-17)27-14-18(24)21-16-8-6-15(3)7-9-16/h6-9,13H,4-5,10-12,14H2,1-3H3,(H,21,24)
InChIKeyFYQGYEIIPDOTCH-UHFFFAOYSA-N
MW405.59 g/mol
LogP4.37
Rot. Bonds10

About 2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-dipropylacetamide

2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-dipropylacetamide (PubChem CID 16899389) has the molecular formula C20H27N3O2S2 and a molecular weight of 405.59 g/mol. Its IUPAC name is 2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-dipropylacetamide
PubChem CID16899389
Molecular FormulaC20H27N3O2S2
Molecular Weight405.59 g/mol
Exact Mass405.15
IUPAC Name2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1csc(SCC(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C20H27N3O2S2/c1-4-10-23(11-5-2)19(25)12-17-13-26-20(22-17)27-14-18(24)21-16-8-6-15(3)7-9-16/h6-9,13H,4-5,10-12,14H2,1-3H3,(H,21,24)
InChIKeyFYQGYEIIPDOTCH-UHFFFAOYSA-N
XLogP4.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-bis(2-methoxyethyl)acetamide
CID 16898958
N-(4-methoxyphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899465
N-(3,4-dimethylphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899482
N-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 16899394
2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 16899433
N-(2-methoxy-4-methylphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899510
N-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899514
N-(furan-2-ylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899437
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-pentylacetamide
CID 16898725
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(4-bromophenyl)acetamide
CID 16898741
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(4-chlorophenyl)acetamide
CID 16898739
N-ethyl-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16898975

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-dipropylacetamide (CID 16899389) is 2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1csc(SCC(=O)Nc2ccc(C)cc2)n1.
What is the InChIKey of 2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-dipropylacetamide?
The InChIKey is FYQGYEIIPDOTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S2/c1-4-10-23(11-5-2)19(25)12-17-13-26-20(22-17)27-14-18(24)21-16-8-6-15(3)7-9-16/h6-9,13H,4-5,10-12,14H2,1-3H3,(H,21,24).
What are the key properties of 2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-dipropylacetamide?
2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-dipropylacetamide has a molecular weight of 405.59 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 16899389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).