4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

C13H22N4OS — CID 116668009

IUPAC4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCCCC(C)NC(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C13H22N4OS/c1-3-6-9(2)15-12(18)10-11(14)16-13(19-10)17-7-4-5-8-17/h9H,3-8,14H2,1-2H3,(H,15,18)
InChIKeyOBJQWUOBAHGWCJ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.24
Rot. Bonds5

About 4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116668009) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116668009
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCCCC(C)NC(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C13H22N4OS/c1-3-6-9(2)15-12(18)10-11(14)16-13(19-10)17-7-4-5-8-17/h9H,3-8,14H2,1-2H3,(H,15,18)
InChIKeyOBJQWUOBAHGWCJ-UHFFFAOYSA-N
XLogP2.24
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116664707
4-amino-N-(1-cyclopropylpropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116666580
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106358505
4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667638
4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116669998
4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116672605
4-amino-N-(1-methoxypropan-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 116668074
4-amino-N-(1-ethylsulfanylpropan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116673565
4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116673372
4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672281
1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one
CID 96603841
4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116664825

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (CID 116668009) is 4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is CCCC(C)NC(=O)c1sc(N2CCCC2)nc1N.
What is the InChIKey of 4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is OBJQWUOBAHGWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-3-6-9(2)15-12(18)10-11(14)16-13(19-10)17-7-4-5-8-17/h9H,3-8,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).