2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide

C15H22N4OS — CID 100671691

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N[C@H](C)c1csc(C(C)C)n1
InChIInChI=1S/C15H22N4OS/c1-8(2)15-17-13(7-21-15)11(5)16-14(20)6-12-9(3)18-19-10(12)4/h7-8,11H,6H2,1-5H3,(H,16,20)(H,18,19)/t11-/m1/s1
InChIKeyVTHBBOGSEKIJMX-LLVKDONJSA-N
MW306.44 g/mol
LogP3.03
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 100671691) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID100671691
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N[C@H](C)c1csc(C(C)C)n1
InChIInChI=1S/C15H22N4OS/c1-8(2)15-17-13(7-21-15)11(5)16-14(20)6-12-9(3)18-19-10(12)4/h7-8,11H,6H2,1-5H3,(H,16,20)(H,18,19)/t11-/m1/s1
InChIKeyVTHBBOGSEKIJMX-LLVKDONJSA-N
XLogP3.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide
CID 97059070
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]acetamide
CID 99825759
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 55259828
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxypropyl)acetamide
CID 43501139
4-[3-oxo-3-[[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propyl]benzoic acid
CID 97323988
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide
CID 99825884
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 92604845
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(R)-phenyl(pyridin-3-yl)methyl]acetamide
CID 99832422
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 110695347
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide
CID 138027211
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74246771
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 97121974

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide (CID 100671691) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide is Cc1n[nH]c(C)c1CC(=O)N[C@H](C)c1csc(C(C)C)n1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is VTHBBOGSEKIJMX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-8(2)15-17-13(7-21-15)11(5)16-14(20)6-12-9(3)18-19-10(12)4/h7-8,11H,6H2,1-5H3,(H,16,20)(H,18,19)/t11-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 306.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 100671691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).