N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide

C19H24F2N4O3S — CID 11690434

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide
SMILESCCCC(NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C19H24F2N4O3S/c1-5-6-13(15(27)23-18-25-24-17(29-18)19(2,3)4)22-16(28)14(26)10-7-11(20)9-12(21)8-10/h7-9,13-14,26H,5-6H2,1-4H3,(H,22,28)(H,23,25,27)/t13?,14-/m0/s1
InChIKeyUKOJAOHWSCYMHB-KZUDCZAMSA-N
MW426.49 g/mol
LogP3.07
Rot. Bonds7

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide (PubChem CID 11690434) has the molecular formula C19H24F2N4O3S and a molecular weight of 426.49 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide
PubChem CID11690434
Molecular FormulaC19H24F2N4O3S
Molecular Weight426.49 g/mol
Exact Mass426.15
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide
SMILESCCCC(NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C19H24F2N4O3S/c1-5-6-13(15(27)23-18-25-24-17(29-18)19(2,3)4)22-16(28)14(26)10-7-11(20)9-12(21)8-10/h7-9,13-14,26H,5-6H2,1-4H3,(H,22,28)(H,23,25,27)/t13?,14-/m0/s1
InChIKeyUKOJAOHWSCYMHB-KZUDCZAMSA-N
XLogP3.07
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]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

1-[2-(4-Fluorophenyl)-2-hydroxyethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 45821321
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[2-(2,5-difluorophenyl)acetyl]amino]pentanamide
CID 11495234
2-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 11525312
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[4-(ethylamino)-2-methylbutan-2-yl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 11540001
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[2-methyl-4-(propan-2-ylamino)butan-2-yl]-1,3,4-thiadiazol-2-yl]butanamide
CID 11583573
2-[2-(3,5-Difluoro-phenyl)-acetylamino]-pentanoic acid (5-tert-butyl-[1,3,4]thiadiazol-2-yl)-amide
CID 11618423
2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 11662460
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-hydroxy-2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 11676243
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 11676508
2-[2-(3,5-Difluoro-phenyl)-acetylamino]-pentanoic acid [5-(1,1-dimethyl-2-oxiranyl-ethyl)-[1,3,4]thiadiazol-2-yl]-amide
CID 11705114
N-[5-[4-(cyclopropylamino)-2-methylbutan-2-yl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide
CID 25007943
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide
CID 25007947

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide (CID 11690434) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide is CCCC(NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)Nc1nnc(C(C)(C)C)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide?
The InChIKey is UKOJAOHWSCYMHB-KZUDCZAMSA-N. The full InChI is InChI=1S/C19H24F2N4O3S/c1-5-6-13(15(27)23-18-25-24-17(29-18)19(2,3)4)22-16(28)14(26)10-7-11(20)9-12(21)8-10/h7-9,13-14,26H,5-6H2,1-4H3,(H,22,28)(H,23,25,27)/t13?,14-/m0/s1.
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide has a molecular weight of 426.49 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide is sourced from PubChem (CID 11690434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).