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

C13H22N4O3S — CID 34111171

IUPACtert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate
SMILESCCCc1nnc(NC(=O)CCNC(=O)OC(C)(C)C)s1
InChIInChI=1S/C13H22N4O3S/c1-5-6-10-16-17-11(21-10)15-9(18)7-8-14-12(19)20-13(2,3)4/h5-8H2,1-4H3,(H,14,19)(H,15,17,18)
InChIKeyIOGWJEVZIJPMKU-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.34
Rot. Bonds6

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

tert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate (PubChem CID 34111171) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate
PubChem CID34111171
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Nametert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate
SMILESCCCc1nnc(NC(=O)CCNC(=O)OC(C)(C)C)s1
InChIInChI=1S/C13H22N4O3S/c1-5-6-10-16-17-11(21-10)15-9(18)7-8-14-12(19)20-13(2,3)4/h5-8H2,1-4H3,(H,14,19)(H,15,17,18)
InChIKeyIOGWJEVZIJPMKU-UHFFFAOYSA-N
XLogP2.34
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
CID 676814
4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 22830189
2-tert-butylsulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 78792540
N-[5-[2-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethoxy]ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 3101008
1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199526
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191796
tert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate
CID 47082039
3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 82109868
N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 2039486

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate (CID 34111171) is tert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate is CCCc1nnc(NC(=O)CCNC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate?
The InChIKey is IOGWJEVZIJPMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-5-6-10-16-17-11(21-10)15-9(18)7-8-14-12(19)20-13(2,3)4/h5-8H2,1-4H3,(H,14,19)(H,15,17,18).
What are the key properties of tert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate?
tert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate has a molecular weight of 314.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate is sourced from PubChem (CID 34111171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).