(4S)-4-amino-5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)pentanamide

C19H21N5O2S2 — CID 24901641

IUPAC(4S)-4-amino-5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)pentanamide
SMILESNc1nnc(SC[C@@H](N)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C19H21N5O2S2/c20-13(12-27-19-24-23-18(21)28-19)6-11-17(25)22-14-7-9-16(10-8-14)26-15-4-2-1-3-5-15/h1-5,7-10,13H,6,11-12,20H2,(H2,21,23)(H,22,25)/t13-/m0/s1
InChIKeyJPXLGOBVNVPEMG-ZDUSSCGKSA-N
MW415.54 g/mol
LogP3.75
Rot. Bonds9

About (4S)-4-amino-5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)pentanamide

(4S)-4-amino-5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)pentanamide (PubChem CID 24901641) has the molecular formula C19H21N5O2S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is (4S)-4-amino-5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)pentanamide.

Molecular Properties

Compound Name(4S)-4-amino-5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)pentanamide
PubChem CID24901641
Molecular FormulaC19H21N5O2S2
Molecular Weight415.54 g/mol
Exact Mass415.11
IUPAC Name(4S)-4-amino-5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)pentanamide
SMILESNc1nnc(SC[C@@H](N)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C19H21N5O2S2/c20-13(12-27-19-24-23-18(21)28-19)6-11-17(25)22-14-7-9-16(10-8-14)26-15-4-2-1-3-5-15/h1-5,7-10,13H,6,11-12,20H2,(H2,21,23)(H,22,25)/t13-/m0/s1
InChIKeyJPXLGOBVNVPEMG-ZDUSSCGKSA-N
XLogP3.75
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (4S)-4-amino-5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-Amino-1,3,4-thiadiazol-2-yl)thio]-N-(4-methoxyphenyl)acetamide
CID 698766
N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)pentanamide
CID 3336954
3-[[5-(Prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 4876409
N-(4-methoxyphenyl)-2-[(5-{[(4-methoxyphenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 16032678
N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 4876777
N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 1470627
N-(5-((2-((4-ethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)butyramide
CID 8007692
1-(4-Methoxyphenyl)-3-{[5-(prop-2-en-1-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}pyrrolidine-2,5-dione
CID 661865
N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2596025
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 2999605
3,3-Dimethyl-1-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one
CID 3603656
N-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
CID 1470621

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)pentanamide?
The IUPAC name of (4S)-4-amino-5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)pentanamide (CID 24901641) is (4S)-4-amino-5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)pentanamide.
What is the SMILES notation for (4S)-4-amino-5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)pentanamide?
The canonical SMILES for (4S)-4-amino-5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)pentanamide is Nc1nnc(SC[C@@H](N)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)s1.
What is the InChIKey of (4S)-4-amino-5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)pentanamide?
The InChIKey is JPXLGOBVNVPEMG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N5O2S2/c20-13(12-27-19-24-23-18(21)28-19)6-11-17(25)22-14-7-9-16(10-8-14)26-15-4-2-1-3-5-15/h1-5,7-10,13H,6,11-12,20H2,(H2,21,23)(H,22,25)/t13-/m0/s1.
What are the key properties of (4S)-4-amino-5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)pentanamide?
(4S)-4-amino-5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)pentanamide has a molecular weight of 415.54 g/mol, XLogP of 3.75, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)pentanamide is sourced from PubChem (CID 24901641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).