tert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate

C15H26N4O3S — CID 47082039

IUPACtert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate
SMILESCCCCCc1nnc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H26N4O3S/c1-6-7-8-9-11-18-19-13(23-11)17-12(20)10(2)16-14(21)22-15(3,4)5/h10H,6-9H2,1-5H3,(H,16,21)(H,17,19,20)/t10-/m1/s1
InChIKeyHGTBMWYZGDGLMO-SNVBAGLBSA-N
MW342.47 g/mol
LogP3.12
Rot. Bonds7

About tert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate

tert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate (PubChem CID 47082039) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate
PubChem CID47082039
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Nametert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate
SMILESCCCCCc1nnc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H26N4O3S/c1-6-7-8-9-11-18-19-13(23-11)17-12(20)10(2)16-14(21)22-15(3,4)5/h10H,6-9H2,1-5H3,(H,16,21)(H,17,19,20)/t10-/m1/s1
InChIKeyHGTBMWYZGDGLMO-SNVBAGLBSA-N
XLogP3.12
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate 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

tert-butyl N-[3-methyl-1-[[5-[4-[5-(3-methylbutanoylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 142294972
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669
tert-butyl N-[1-cyclopentyl-3-[5-[4-[5-[[2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-oxopropyl]carbamate
CID 158081829
ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate
CID 121088928
[3-[[5-[4-[5-[[3-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxy-2-phenylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]amino]-3-oxo-2-phenylpropyl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 146174604
pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate
CID 2207802
2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 46508754
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
tert-butyl N-[1-(heptan-2-ylamino)-1-oxopropan-2-yl]carbamate
CID 60730983
tert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate
CID 34111171
tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate
CID 10824212
N-[5-(4-aminobutyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 82176715

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate (CID 47082039) is tert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate is CCCCCc1nnc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate?
The InChIKey is HGTBMWYZGDGLMO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-6-7-8-9-11-18-19-13(23-11)17-12(20)10(2)16-14(21)22-15(3,4)5/h10H,6-9H2,1-5H3,(H,16,21)(H,17,19,20)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate has a molecular weight of 342.47 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate is sourced from PubChem (CID 47082039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).