tert-butyl (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidine-1-carboxylate

C15H24N4O3S — CID 67953726

IUPACtert-butyl (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H]1C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C15H24N4O3S/c1-14(2,3)11-17-18-12(23-11)16-10(20)9-7-8-19(9)13(21)22-15(4,5)6/h9H,7-8H2,1-6H3,(H,16,18,20)/t9-/m0/s1
InChIKeyGMGQRNBWDKYQGY-VIFPVBQESA-N
MW340.45 g/mol
LogP2.78
Rot. Bonds2

About tert-butyl (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidine-1-carboxylate

tert-butyl (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidine-1-carboxylate (PubChem CID 67953726) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidine-1-carboxylate
PubChem CID67953726
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Nametert-butyl (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H]1C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C15H24N4O3S/c1-14(2,3)11-17-18-12(23-11)16-10(20)9-7-8-19(9)13(21)22-15(4,5)6/h9H,7-8H2,1-6H3,(H,16,18,20)/t9-/m0/s1
InChIKeyGMGQRNBWDKYQGY-VIFPVBQESA-N
XLogP2.78
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 56549084
tert-butyl 2-(1,3-benzothiazol-2-ylcarbamoyl)azetidine-1-carboxylate
CID 91536144
tert-butyl 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]azetidine-1-carboxylate
CID 77437944
(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-cyclobutylpyrrolidine-2-carboxamide
CID 67953352
(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrrolidine-2-carboxamide
CID 67953358
tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate
CID 129408107
tert-butyl 2-[(4-fluoro-1,3-benzothiazol-2-yl)carbamoyl]azetidine-1-carboxylate
CID 90832899
(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide
CID 67953357
tert-butyl (2S)-5-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]azepane-1-carboxylate
CID 135178980
5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 174205004
tert-butyl (2S)-2-[[(4S)-6-methyl-1-oxo-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]hept-2-en-4-yl]carbamoyl]piperidine-1-carboxylate
CID 123752444
1-O-tert-butyl 2-O-methyl (2S)-azetidine-1,2-dicarboxylate
CID 14821736

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidine-1-carboxylate (CID 67953726) is tert-butyl (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H]1C(=O)Nc1nnc(C(C)(C)C)s1.
What is the InChIKey of tert-butyl (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidine-1-carboxylate?
The InChIKey is GMGQRNBWDKYQGY-VIFPVBQESA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-14(2,3)11-17-18-12(23-11)16-10(20)9-7-8-19(9)13(21)22-15(4,5)6/h9H,7-8H2,1-6H3,(H,16,18,20)/t9-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidine-1-carboxylate?
tert-butyl (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidine-1-carboxylate has a molecular weight of 340.45 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidine-1-carboxylate is sourced from PubChem (CID 67953726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).