2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate

C11H17N5O3S — CID 116672202

IUPAC2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C11H17N5O3S/c12-8-7(9(17)14-3-6-19-10(13)18)20-11(15-8)16-4-1-2-5-16/h1-6,12H2,(H2,13,18)(H,14,17)
InChIKeyVZHHFIKVKZALPI-UHFFFAOYSA-N
MW299.36 g/mol
LogP0.15
Rot. Bonds5

About 2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate

2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate (PubChem CID 116672202) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate
PubChem CID116672202
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC Name2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C11H17N5O3S/c12-8-7(9(17)14-3-6-19-10(13)18)20-11(15-8)16-4-1-2-5-16/h1-6,12H2,(H2,13,18)(H,14,17)
InChIKeyVZHHFIKVKZALPI-UHFFFAOYSA-N
XLogP0.15
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate 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

4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116673372
4-amino-N-(5-amino-5-oxopentyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106242065
4-amino-N-(3-hydroxypropyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116665451
4-amino-N-pent-3-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116673390
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-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116669024
4-amino-N-(2-ethoxy-2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 114944967
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116669758
2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672206
4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672281

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate?
The IUPAC name of 2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate (CID 116672202) is 2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate is NC(=O)OCCNC(=O)c1sc(N2CCCC2)nc1N.
What is the InChIKey of 2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate?
The InChIKey is VZHHFIKVKZALPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3S/c12-8-7(9(17)14-3-6-19-10(13)18)20-11(15-8)16-4-1-2-5-16/h1-6,12H2,(H2,13,18)(H,14,17).
What are the key properties of 2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate?
2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate has a molecular weight of 299.36 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate is sourced from PubChem (CID 116672202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).