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

C15H25N3O2S — CID 103748044

IUPACtert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
SMILESCc1nc(CCNC2CCN(C(=O)OC(C)(C)C)C2)cs1
InChIInChI=1S/C15H25N3O2S/c1-11-17-13(10-21-11)5-7-16-12-6-8-18(9-12)14(19)20-15(2,3)4/h10,12,16H,5-9H2,1-4H3
InChIKeyDUKBEUSMADRHRD-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.59
Rot. Bonds4

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

tert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate (PubChem CID 103748044) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is tert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
PubChem CID103748044
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Nametert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
SMILESCc1nc(CCNC2CCN(C(=O)OC(C)(C)C)C2)cs1
InChIInChI=1S/C15H25N3O2S/c1-11-17-13(10-21-11)5-7-16-12-6-8-18(9-12)14(19)20-15(2,3)4/h10,12,16H,5-9H2,1-4H3
InChIKeyDUKBEUSMADRHRD-UHFFFAOYSA-N
XLogP2.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 125438149
tert-butyl 3-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyrrolidine-1-carboxylate
CID 81462187
tert-butyl 4-[N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]piperazine-1-carboxylate
CID 111041335
tert-butyl (2S)-2-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
CID 97341623
tert-butyl 3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]piperidine-1-carboxylate
CID 75517965
tert-butyl (3R)-3-(pyrazin-2-ylmethylamino)pyrrolidine-1-carboxylate
CID 71629492
5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]methyl]thiophene-3-carboxylic acid
CID 107239346
tert-butyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyrrolidine-1-carboxylate
CID 130163280
tert-butyl 3-(5-hydroxypentylamino)pyrrolidine-1-carboxylate
CID 107302933
tert-butyl 3-[(5-methyl-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate
CID 103768701
tert-butyl 3-[(4-methylphenyl)methylamino]pyrrolidine-1-carboxylate
CID 78960869
ethyl 4-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]piperidine-1-carboxylate
CID 110332728

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate (CID 103748044) is tert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate is Cc1nc(CCNC2CCN(C(=O)OC(C)(C)C)C2)cs1.
What is the InChIKey of tert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate?
The InChIKey is DUKBEUSMADRHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11-17-13(10-21-11)5-7-16-12-6-8-18(9-12)14(19)20-15(2,3)4/h10,12,16H,5-9H2,1-4H3.
What are the key properties of tert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate?
tert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate has a molecular weight of 311.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103748044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).