(2S)-N-[5-(3-methylimidazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide

C19H19N7OS2 — CID 71453407

IUPAC(2S)-N-[5-(3-methylimidazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
SMILESCn1cncc1-c1nnc(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)s1
InChIInChI=1S/C19H19N7OS2/c1-26-11-20-9-16(26)18-24-25-19(29-18)23-17(27)15(7-13-5-3-2-4-6-13)21-8-14-10-28-12-22-14/h2-6,9-12,15,21H,7-8H2,1H3,(H,23,25,27)/t15-/m0/s1
InChIKeyALDSBCKBDPTGFE-HNNXBMFYSA-N
MW425.54 g/mol
LogP2.73
Rot. Bonds8

About (2S)-N-[5-(3-methylimidazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide

(2S)-N-[5-(3-methylimidazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide (PubChem CID 71453407) has the molecular formula C19H19N7OS2 and a molecular weight of 425.54 g/mol. Its IUPAC name is (2S)-N-[5-(3-methylimidazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[5-(3-methylimidazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
PubChem CID71453407
Molecular FormulaC19H19N7OS2
Molecular Weight425.54 g/mol
Exact Mass425.11
IUPAC Name(2S)-N-[5-(3-methylimidazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
SMILESCn1cncc1-c1nnc(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)s1
InChIInChI=1S/C19H19N7OS2/c1-26-11-20-9-16(26)18-24-25-19(29-18)23-17(27)15(7-13-5-3-2-4-6-13)21-8-14-10-28-12-22-14/h2-6,9-12,15,21H,7-8H2,1H3,(H,23,25,27)/t15-/m0/s1
InChIKeyALDSBCKBDPTGFE-HNNXBMFYSA-N
XLogP2.73
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2S)-N-[5-(3-methylimidazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(3-methylimidazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The IUPAC name of (2S)-N-[5-(3-methylimidazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide (CID 71453407) is (2S)-N-[5-(3-methylimidazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide.
What is the SMILES notation for (2S)-N-[5-(3-methylimidazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The canonical SMILES for (2S)-N-[5-(3-methylimidazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide is Cn1cncc1-c1nnc(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)s1.
What is the InChIKey of (2S)-N-[5-(3-methylimidazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The InChIKey is ALDSBCKBDPTGFE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19N7OS2/c1-26-11-20-9-16(26)18-24-25-19(29-18)23-17(27)15(7-13-5-3-2-4-6-13)21-8-14-10-28-12-22-14/h2-6,9-12,15,21H,7-8H2,1H3,(H,23,25,27)/t15-/m0/s1.
What are the key properties of (2S)-N-[5-(3-methylimidazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
(2S)-N-[5-(3-methylimidazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide has a molecular weight of 425.54 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(3-methylimidazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide is sourced from PubChem (CID 71453407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).