tert-butyl (2S)-2-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate

C17H29N3O2S — CID 97341623

IUPACtert-butyl (2S)-2-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
SMILESCc1nc(CCN[C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)cs1
InChIInChI=1S/C17H29N3O2S/c1-12(18-9-8-14-11-23-13(2)19-14)15-7-6-10-20(15)16(21)22-17(3,4)5/h11-12,15,18H,6-10H2,1-5H3/t12-,15-/m0/s1
InChIKeyNCPRSTDGBXTIGR-WFASDCNBSA-N
MW339.51 g/mol
LogP3.37
Rot. Bonds5

About tert-butyl (2S)-2-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate (PubChem CID 97341623) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
PubChem CID97341623
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Nametert-butyl (2S)-2-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
SMILESCc1nc(CCN[C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)cs1
InChIInChI=1S/C17H29N3O2S/c1-12(18-9-8-14-11-23-13(2)19-14)15-7-6-10-20(15)16(21)22-17(3,4)5/h11-12,15,18H,6-10H2,1-5H3/t12-,15-/m0/s1
InChIKeyNCPRSTDGBXTIGR-WFASDCNBSA-N
XLogP3.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2S)-2-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate 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 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103748044
tert-butyl 2-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 103822890
tert-butyl (2R)-2-[(1S)-1-(ethylamino)ethyl]piperidine-1-carboxylate
CID 97177417
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 106038848
tert-butyl 2-(1-anilinoethyl)pyrrolidine-1-carboxylate
CID 102537736
tert-butyl (2R)-2-[(1R)-1-[[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]ethyl]pyrrolidine-1-carboxylate
CID 129436545
tert-butyl (2R)-2-[(1R)-1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 97174920
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47071734
tert-butyl (2R)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 95566963
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl 4-[N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]piperazine-1-carboxylate
CID 111041335
tert-butyl (2S)-2-[[[(1R)-1-pyrazin-2-ylethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 97175736

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate (CID 97341623) is tert-butyl (2S)-2-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate is Cc1nc(CCN[C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)cs1.
What is the InChIKey of tert-butyl (2S)-2-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate?
The InChIKey is NCPRSTDGBXTIGR-WFASDCNBSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-12(18-9-8-14-11-23-13(2)19-14)15-7-6-10-20(15)16(21)22-17(3,4)5/h11-12,15,18H,6-10H2,1-5H3/t12-,15-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate has a molecular weight of 339.51 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 97341623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).