2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide

C23H24N4O2S2 — CID 24589910

IUPAC2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C(C)Sc3nc(C)c(CC(N)=O)s3)ccc21
InChIInChI=1S/C23H24N4O2S2/c1-4-27-18-8-6-5-7-16(18)17-11-15(9-10-19(17)27)26-22(29)14(3)30-23-25-13(2)20(31-23)12-21(24)28/h5-11,14H,4,12H2,1-3H3,(H2,24,28)(H,26,29)
InChIKeyADPWPRYHWIPCSH-UHFFFAOYSA-N
MW452.61 g/mol
LogP4.73
Rot. Bonds7

About 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide

2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide (PubChem CID 24589910) has the molecular formula C23H24N4O2S2 and a molecular weight of 452.61 g/mol. Its IUPAC name is 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide
PubChem CID24589910
Molecular FormulaC23H24N4O2S2
Molecular Weight452.61 g/mol
Exact Mass452.13
IUPAC Name2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C(C)Sc3nc(C)c(CC(N)=O)s3)ccc21
InChIInChI=1S/C23H24N4O2S2/c1-4-27-18-8-6-5-7-16(18)17-11-15(9-10-19(17)27)26-22(29)14(3)30-23-25-13(2)20(31-23)12-21(24)28/h5-11,14H,4,12H2,1-3H3,(H2,24,28)(H,26,29)
InChIKeyADPWPRYHWIPCSH-UHFFFAOYSA-N
XLogP4.73
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.61
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide
CID 46683483
N-(9-ethylcarbazol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 4817977
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-butan-2-ylphenyl)propanamide
CID 46683524
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide
CID 24589907
(2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide
CID 124582604
[(2R)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7274848
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide
CID 46683509
N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 23098781
(2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide
CID 27629691
N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 19299111
N-(9-ethylcarbazol-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 112786027
(2R)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide
CID 40749089

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide?
The IUPAC name of 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide (CID 24589910) is 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide.
What is the SMILES notation for 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide?
The canonical SMILES for 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide is CCn1c2ccccc2c2cc(NC(=O)C(C)Sc3nc(C)c(CC(N)=O)s3)ccc21.
What is the InChIKey of 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide?
The InChIKey is ADPWPRYHWIPCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S2/c1-4-27-18-8-6-5-7-16(18)17-11-15(9-10-19(17)27)26-22(29)14(3)30-23-25-13(2)20(31-23)12-21(24)28/h5-11,14H,4,12H2,1-3H3,(H2,24,28)(H,26,29).
What are the key properties of 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide?
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide has a molecular weight of 452.61 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide is sourced from PubChem (CID 24589910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).