(2S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide

C12H17N5OS — CID 164637832

IUPAC(2S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
SMILESC[C@@H](Cn1cccn1)C(=O)NCCc1csc(N)n1
InChIInChI=1S/C12H17N5OS/c1-9(7-17-6-2-4-15-17)11(18)14-5-3-10-8-19-12(13)16-10/h2,4,6,8-9H,3,5,7H2,1H3,(H2,13,16)(H,14,18)/t9-/m0/s1
InChIKeyLXRFRKQHMJQBFV-VIFPVBQESA-N
MW279.37 g/mol
LogP0.92
Rot. Bonds6

About (2S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide

(2S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide (PubChem CID 164637832) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is (2S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
PubChem CID164637832
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name(2S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
SMILESC[C@@H](Cn1cccn1)C(=O)NCCc1csc(N)n1
InChIInChI=1S/C12H17N5OS/c1-9(7-17-6-2-4-15-17)11(18)14-5-3-10-8-19-12(13)16-10/h2,4,6,8-9H,3,5,7H2,1H3,(H2,13,16)(H,14,18)/t9-/m0/s1
InChIKeyLXRFRKQHMJQBFV-VIFPVBQESA-N
XLogP0.92
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide (CID 164637832) is (2S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide is C[C@@H](Cn1cccn1)C(=O)NCCc1csc(N)n1.
What is the InChIKey of (2S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
The InChIKey is LXRFRKQHMJQBFV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N5OS/c1-9(7-17-6-2-4-15-17)11(18)14-5-3-10-8-19-12(13)16-10/h2,4,6,8-9H,3,5,7H2,1H3,(H2,13,16)(H,14,18)/t9-/m0/s1.
What are the key properties of (2S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
(2S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide has a molecular weight of 279.37 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 164637832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).