1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)azetidine-2-carboxamide

C12H19N3OS — CID 126836203

IUPAC1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)azetidine-2-carboxamide
SMILESCC(C)(C)N1CCC1C(=O)NCc1nccs1
InChIInChI=1S/C12H19N3OS/c1-12(2,3)15-6-4-9(15)11(16)14-8-10-13-5-7-17-10/h5,7,9H,4,6,8H2,1-3H3,(H,14,16)
InChIKeyJHCGEXWFZROUSM-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.63
Rot. Bonds3

About 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)azetidine-2-carboxamide

1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)azetidine-2-carboxamide (PubChem CID 126836203) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)azetidine-2-carboxamide
PubChem CID126836203
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)azetidine-2-carboxamide
SMILESCC(C)(C)N1CCC1C(=O)NCc1nccs1
InChIInChI=1S/C12H19N3OS/c1-12(2,3)15-6-4-9(15)11(16)14-8-10-13-5-7-17-10/h5,7,9H,4,6,8H2,1-3H3,(H,14,16)
InChIKeyJHCGEXWFZROUSM-UHFFFAOYSA-N
XLogP1.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-methyl-3-(1,3-thiazol-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 126831141
1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 63001484
2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110511
2-amino-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
CID 82237387
5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110746410
(3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94916816
(3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95871477
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78983445
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411
4-(1,3-thiazol-2-ylmethylamino)piperidine-1-carboxamide
CID 61283472
N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide
CID 130634316

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)azetidine-2-carboxamide?
The IUPAC name of 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)azetidine-2-carboxamide (CID 126836203) is 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)azetidine-2-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)azetidine-2-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)azetidine-2-carboxamide is CC(C)(C)N1CCC1C(=O)NCc1nccs1.
What is the InChIKey of 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)azetidine-2-carboxamide?
The InChIKey is JHCGEXWFZROUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-12(2,3)15-6-4-9(15)11(16)14-8-10-13-5-7-17-10/h5,7,9H,4,6,8H2,1-3H3,(H,14,16).
What are the key properties of 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)azetidine-2-carboxamide?
1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)azetidine-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)azetidine-2-carboxamide is sourced from PubChem (CID 126836203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).