(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylpropanamide

C16H24N4OS — CID 95908254

IUPAC(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylpropanamide
SMILESCCc1ncc(CN(C)C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)s1
InChIInChI=1S/C16H24N4OS/c1-6-15-17-8-13(22-15)9-20(5)16(21)10(2)7-14-11(3)18-19-12(14)4/h8,10H,6-7,9H2,1-5H3,(H,18,19)/t10-/m0/s1
InChIKeyRNDPKYMNWORRFA-JTQLQIEISA-N
MW320.46 g/mol
LogP2.88
Rot. Bonds6

About (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylpropanamide

(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylpropanamide (PubChem CID 95908254) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylpropanamide
PubChem CID95908254
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylpropanamide
SMILESCCc1ncc(CN(C)C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)s1
InChIInChI=1S/C16H24N4OS/c1-6-15-17-8-13(22-15)9-20(5)16(21)10(2)7-14-11(3)18-19-12(14)4/h8,10H,6-7,9H2,1-5H3,(H,18,19)/t10-/m0/s1
InChIKeyRNDPKYMNWORRFA-JTQLQIEISA-N
XLogP2.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylpropanamide?
The IUPAC name of (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylpropanamide (CID 95908254) is (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylpropanamide?
The canonical SMILES for (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylpropanamide is CCc1ncc(CN(C)C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)s1.
What is the InChIKey of (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylpropanamide?
The InChIKey is RNDPKYMNWORRFA-JTQLQIEISA-N. The full InChI is InChI=1S/C16H24N4OS/c1-6-15-17-8-13(22-15)9-20(5)16(21)10(2)7-14-11(3)18-19-12(14)4/h8,10H,6-7,9H2,1-5H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylpropanamide?
(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylpropanamide has a molecular weight of 320.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 95908254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).