2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide

C11H18N4OS — CID 62787661

IUPAC2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NCCCN2CCCC2)cs1
InChIInChI=1S/C11H18N4OS/c12-11-14-9(8-17-11)10(16)13-4-3-7-15-5-1-2-6-15/h8H,1-7H2,(H2,12,14)(H,13,16)
InChIKeyLAHOWGSXNCLCEP-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.94
Rot. Bonds5

About 2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide

2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 62787661) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID62787661
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NCCCN2CCCC2)cs1
InChIInChI=1S/C11H18N4OS/c12-11-14-9(8-17-11)10(16)13-4-3-7-15-5-1-2-6-15/h8H,1-7H2,(H2,12,14)(H,13,16)
InChIKeyLAHOWGSXNCLCEP-UHFFFAOYSA-N
XLogP0.94
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66373431
2-(2-aminoethyl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66373433
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 62794675
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 62789140
2-amino-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide;formic acid
CID 154908393
2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide
CID 71965716
2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide
CID 115519247
2-[(3,4-dichlorobenzoyl)amino]-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 46113825
2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 55116109
N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62788552
2-amino-N-(3-cyclohexyloxypropyl)-1,3-thiazole-4-carboxamide
CID 62786886
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 62788783

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide (CID 62787661) is 2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)NCCCN2CCCC2)cs1.
What is the InChIKey of 2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LAHOWGSXNCLCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c12-11-14-9(8-17-11)10(16)13-4-3-7-15-5-1-2-6-15/h8H,1-7H2,(H2,12,14)(H,13,16).
What are the key properties of 2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62787661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).