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

C16H16N4O2S2 — CID 39023747

IUPACN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(1H-indol-3-yl)acetamide
SMILESCc1nc(NC(=O)Cc2c[nH]c3ccccc23)sc1SCC(N)=O
InChIInChI=1S/C16H16N4O2S2/c1-9-15(23-8-13(17)21)24-16(19-9)20-14(22)6-10-7-18-12-5-3-2-4-11(10)12/h2-5,7,18H,6,8H2,1H3,(H2,17,21)(H,19,20,22)
InChIKeyAKZBJEPQUHYMLF-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.69
Rot. Bonds6

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

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(1H-indol-3-yl)acetamide (PubChem CID 39023747) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(1H-indol-3-yl)acetamide
PubChem CID39023747
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(1H-indol-3-yl)acetamide
SMILESCc1nc(NC(=O)Cc2c[nH]c3ccccc23)sc1SCC(N)=O
InChIInChI=1S/C16H16N4O2S2/c1-9-15(23-8-13(17)21)24-16(19-9)20-14(22)6-10-7-18-12-5-3-2-4-11(10)12/h2-5,7,18H,6,8H2,1H3,(H2,17,21)(H,19,20,22)
InChIKeyAKZBJEPQUHYMLF-UHFFFAOYSA-N
XLogP2.69
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 38308718
ethyl 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266806
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 39026219
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide
CID 39025508
3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119291959
2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2114847
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 38585979
2-(1H-indol-3-yl)-N-[5-[4-[5-[[2-(1H-indol-3-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90165468
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide
CID 39024795
3-(1H-indol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 17472906
N-(2,3-dimethylquinoxalin-6-yl)-2-(1H-indol-3-yl)acetamide
CID 110743801
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide
CID 90532385

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(1H-indol-3-yl)acetamide (CID 39023747) is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(1H-indol-3-yl)acetamide is Cc1nc(NC(=O)Cc2c[nH]c3ccccc23)sc1SCC(N)=O.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is AKZBJEPQUHYMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-9-15(23-8-13(17)21)24-16(19-9)20-14(22)6-10-7-18-12-5-3-2-4-11(10)12/h2-5,7,18H,6,8H2,1H3,(H2,17,21)(H,19,20,22).
What are the key properties of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(1H-indol-3-yl)acetamide?
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 360.46 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 39023747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).