(4S)-4-amino-5-oxo-5-[2-(2-oxo-2-phenothiazin-10-ylethyl)hydrazinyl]pentanamide

C19H21N5O3S — CID 3069197

IUPAC(4S)-4-amino-5-oxo-5-[2-(2-oxo-2-phenothiazin-10-ylethyl)hydrazinyl]pentanamide
SMILESNC(=O)CC[C@H](N)C(=O)NNCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H21N5O3S/c20-12(9-10-17(21)25)19(27)23-22-11-18(26)24-13-5-1-3-7-15(13)28-16-8-4-2-6-14(16)24/h1-8,12,22H,9-11,20H2,(H2,21,25)(H,23,27)/t12-/m0/s1
InChIKeyHLOHLFJCEVJDHP-LBPRGKRZSA-N
MW399.48 g/mol
LogP1.03
Rot. Bonds7

About (4S)-4-amino-5-oxo-5-[2-(2-oxo-2-phenothiazin-10-ylethyl)hydrazinyl]pentanamide

(4S)-4-amino-5-oxo-5-[2-(2-oxo-2-phenothiazin-10-ylethyl)hydrazinyl]pentanamide (PubChem CID 3069197) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is (4S)-4-amino-5-oxo-5-[2-(2-oxo-2-phenothiazin-10-ylethyl)hydrazinyl]pentanamide.

Molecular Properties

Compound Name(4S)-4-amino-5-oxo-5-[2-(2-oxo-2-phenothiazin-10-ylethyl)hydrazinyl]pentanamide
PubChem CID3069197
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name(4S)-4-amino-5-oxo-5-[2-(2-oxo-2-phenothiazin-10-ylethyl)hydrazinyl]pentanamide
SMILESNC(=O)CC[C@H](N)C(=O)NNCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H21N5O3S/c20-12(9-10-17(21)25)19(27)23-22-11-18(26)24-13-5-1-3-7-15(13)28-16-8-4-2-6-14(16)24/h1-8,12,22H,9-11,20H2,(H2,21,25)(H,23,27)/t12-/m0/s1
InChIKeyHLOHLFJCEVJDHP-LBPRGKRZSA-N
XLogP1.03
TPSA130.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide
CID 53461661
3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride
CID 24747135
(2-oxo-2-phenothiazin-10-ylethyl) butanoate
CID 2629114
(2S)-2-amino-N-(4-benzylphenyl)pentanediamide
CID 134586537
(2S)-2-amino-N-naphthalen-2-ylpentanediamide
CID 7020027
(2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide
CID 44588252
(2-oxo-2-phenothiazin-10-ylethyl) 4-bromobenzoate
CID 4211573
2-amino-N-fluoropentanediamide
CID 145127573
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 175692315
2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 14332082
5-[[4-carboxy-1-[(1-carboxy-2-phenylethyl)amino]-1-oxobutan-2-yl]amino]-4-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoic acid
CID 18478875
4-amino-5-[[1-[(4-amino-1-carboxy-4-oxobutyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
CID 18220380

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-oxo-5-[2-(2-oxo-2-phenothiazin-10-ylethyl)hydrazinyl]pentanamide?
The IUPAC name of (4S)-4-amino-5-oxo-5-[2-(2-oxo-2-phenothiazin-10-ylethyl)hydrazinyl]pentanamide (CID 3069197) is (4S)-4-amino-5-oxo-5-[2-(2-oxo-2-phenothiazin-10-ylethyl)hydrazinyl]pentanamide.
What is the SMILES notation for (4S)-4-amino-5-oxo-5-[2-(2-oxo-2-phenothiazin-10-ylethyl)hydrazinyl]pentanamide?
The canonical SMILES for (4S)-4-amino-5-oxo-5-[2-(2-oxo-2-phenothiazin-10-ylethyl)hydrazinyl]pentanamide is NC(=O)CC[C@H](N)C(=O)NNCC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (4S)-4-amino-5-oxo-5-[2-(2-oxo-2-phenothiazin-10-ylethyl)hydrazinyl]pentanamide?
The InChIKey is HLOHLFJCEVJDHP-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21N5O3S/c20-12(9-10-17(21)25)19(27)23-22-11-18(26)24-13-5-1-3-7-15(13)28-16-8-4-2-6-14(16)24/h1-8,12,22H,9-11,20H2,(H2,21,25)(H,23,27)/t12-/m0/s1.
What are the key properties of (4S)-4-amino-5-oxo-5-[2-(2-oxo-2-phenothiazin-10-ylethyl)hydrazinyl]pentanamide?
(4S)-4-amino-5-oxo-5-[2-(2-oxo-2-phenothiazin-10-ylethyl)hydrazinyl]pentanamide has a molecular weight of 399.48 g/mol, XLogP of 1.03, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-oxo-5-[2-(2-oxo-2-phenothiazin-10-ylethyl)hydrazinyl]pentanamide is sourced from PubChem (CID 3069197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).