(1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1H-isoindole-1-carboxamide

C19H21N5O3S — CID 95348486

IUPAC(1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1H-isoindole-1-carboxamide
SMILESCC(C)c1nnc(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)s1
InChIInChI=1S/C19H21N5O3S/c1-10(2)17-22-23-19(28-17)21-14(25)9-20-16(26)15-12-5-3-4-6-13(12)18(27)24(15)11-7-8-11/h3-6,10-11,15H,7-9H2,1-2H3,(H,20,26)(H,21,23,25)/t15-/m0/s1
InChIKeyHAOCFEVGEZNSQE-HNNXBMFYSA-N
MW399.48 g/mol
LogP2.08
Rot. Bonds6

About (1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1H-isoindole-1-carboxamide

(1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1H-isoindole-1-carboxamide (PubChem CID 95348486) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is (1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name(1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1H-isoindole-1-carboxamide
PubChem CID95348486
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name(1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1H-isoindole-1-carboxamide
SMILESCC(C)c1nnc(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)s1
InChIInChI=1S/C19H21N5O3S/c1-10(2)17-22-23-19(28-17)21-14(25)9-20-16(26)15-12-5-3-4-6-13(12)18(27)24(15)11-7-8-11/h3-6,10-11,15H,7-9H2,1-2H3,(H,20,26)(H,21,23,25)/t15-/m0/s1
InChIKeyHAOCFEVGEZNSQE-HNNXBMFYSA-N
XLogP2.08
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1H-isoindole-1-carboxamide 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-(3-Ethyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-N-[5-(2-oxo-2-pyrrolidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-acetamide
CID 647970
3-(1,3-dioxoisoindolin-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 655440
2-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 659438
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 715668
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 807012
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)acetamide
CID 895804
2-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide
CID 1231040
2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide
CID 1250927
2-(1,3-dioxoisoindol-2-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1293023
4-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1334639
3-(1,3-dioxoisoindol-2-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 1579448
4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 1579459

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1H-isoindole-1-carboxamide?
The IUPAC name of (1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1H-isoindole-1-carboxamide (CID 95348486) is (1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1H-isoindole-1-carboxamide.
What is the SMILES notation for (1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1H-isoindole-1-carboxamide?
The canonical SMILES for (1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1H-isoindole-1-carboxamide is CC(C)c1nnc(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)s1.
What is the InChIKey of (1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1H-isoindole-1-carboxamide?
The InChIKey is HAOCFEVGEZNSQE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-10(2)17-22-23-19(28-17)21-14(25)9-20-16(26)15-12-5-3-4-6-13(12)18(27)24(15)11-7-8-11/h3-6,10-11,15H,7-9H2,1-2H3,(H,20,26)(H,21,23,25)/t15-/m0/s1.
What are the key properties of (1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1H-isoindole-1-carboxamide?
(1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1H-isoindole-1-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1H-isoindole-1-carboxamide is sourced from PubChem (CID 95348486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).