(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide

C13H19N5OS — CID 97133199

IUPAC(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@H](C(=O)NCCCc1csc(N)n1)n1cccn1
InChIInChI=1S/C13H19N5OS/c1-2-11(18-8-4-7-16-18)12(19)15-6-3-5-10-9-20-13(14)17-10/h4,7-9,11H,2-3,5-6H2,1H3,(H2,14,17)(H,15,19)/t11-/m1/s1
InChIKeySEVFBABUZMIIRJ-LLVKDONJSA-N
MW293.40 g/mol
LogP1.62
Rot. Bonds7

About (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide

(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide (PubChem CID 97133199) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide
PubChem CID97133199
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@H](C(=O)NCCCc1csc(N)n1)n1cccn1
InChIInChI=1S/C13H19N5OS/c1-2-11(18-8-4-7-16-18)12(19)15-6-3-5-10-9-20-13(14)17-10/h4,7-9,11H,2-3,5-6H2,1H3,(H2,14,17)(H,15,19)/t11-/m1/s1
InChIKeySEVFBABUZMIIRJ-LLVKDONJSA-N
XLogP1.62
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.62
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

(2R)-2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 97156398
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 70742800
(2S)-N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97119973
N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 72862860
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylbutanamide
CID 91843238
(2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 97145040
(2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride
CID 154902774
(2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride
CID 163340668
(2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97141074
(2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide
CID 97147572
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 72861699
(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 97208174

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide (CID 97133199) is (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide is CC[C@H](C(=O)NCCCc1csc(N)n1)n1cccn1.
What is the InChIKey of (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is SEVFBABUZMIIRJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-2-11(18-8-4-7-16-18)12(19)15-6-3-5-10-9-20-13(14)17-10/h4,7-9,11H,2-3,5-6H2,1H3,(H2,14,17)(H,15,19)/t11-/m1/s1.
What are the key properties of (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide?
(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 293.40 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 97133199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).