4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

C13H22N4O2S — CID 116673372

IUPAC4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)OCCNC(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C13H22N4O2S/c1-9(2)19-8-5-15-12(18)10-11(14)16-13(20-10)17-6-3-4-7-17/h9H,3-8,14H2,1-2H3,(H,15,18)
InChIKeyLXTKPGQQSJQZRB-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.48
Rot. Bonds6

About 4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116673372) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116673372
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)OCCNC(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C13H22N4O2S/c1-9(2)19-8-5-15-12(18)10-11(14)16-13(20-10)17-6-3-4-7-17/h9H,3-8,14H2,1-2H3,(H,15,18)
InChIKeyLXTKPGQQSJQZRB-UHFFFAOYSA-N
XLogP1.48
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate
CID 116672202
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-carboxamide
CID 116673365
4-amino-N-(3-hydroxypropyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116665451
4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672281
4-amino-N-pent-3-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116673390
4-amino-N-(5-amino-5-oxopentyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106242065
4-amino-2-(azepan-1-yl)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
CID 116673114
4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 116667610
4-amino-N-[4-(dimethylamino)butyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116665012
4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116669998
4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116668009
4-amino-N-(1-cyclopropylpropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116666580

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (CID 116673372) is 4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is CC(C)OCCNC(=O)c1sc(N2CCCC2)nc1N.
What is the InChIKey of 4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is LXTKPGQQSJQZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-9(2)19-8-5-15-12(18)10-11(14)16-13(20-10)17-6-3-4-7-17/h9H,3-8,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).