N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide

C12H14F2N4OS — CID 146131542

IUPACN-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2c(C(F)F)n[nH]c2C)c(C)s1
InChIInChI=1S/C12H14F2N4OS/c1-5-10(11(12(13)14)18-17-5)16-9(19)4-8-6(2)20-7(3)15-8/h12H,4H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyFORCMBHHMPVANA-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.91
Rot. Bonds4

About N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide

N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide (PubChem CID 146131542) has the molecular formula C12H14F2N4OS and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
PubChem CID146131542
Molecular FormulaC12H14F2N4OS
Molecular Weight300.33 g/mol
Exact Mass300.09
IUPAC NameN-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2c(C(F)F)n[nH]c2C)c(C)s1
InChIInChI=1S/C12H14F2N4OS/c1-5-10(11(12(13)14)18-17-5)16-9(19)4-8-6(2)20-7(3)15-8/h12H,4H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyFORCMBHHMPVANA-UHFFFAOYSA-N
XLogP2.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 70729813
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide
CID 129613960
2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 146131541
2-cyano-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 167892842
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 71861594
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 43546450
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 43546554
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43546689
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 43546767
4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62081257
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfanyl]acetamide
CID 75399503
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylsulfanyl]acetamide
CID 75399507

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide (CID 146131542) is N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)Nc2c(C(F)F)n[nH]c2C)c(C)s1.
What is the InChIKey of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is FORCMBHHMPVANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4OS/c1-5-10(11(12(13)14)18-17-5)16-9(19)4-8-6(2)20-7(3)15-8/h12H,4H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 300.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 146131542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).