N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine

C10H11F3N4S — CID 75438787

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESCc1csc(CNc2cnn(CC(F)(F)F)c2)n1
InChIInChI=1S/C10H11F3N4S/c1-7-5-18-9(16-7)3-14-8-2-15-17(4-8)6-10(11,12)13/h2,4-5,14H,3,6H2,1H3
InChIKeyWYJXAZVSZNIXHC-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.82
Rot. Bonds4

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine (PubChem CID 75438787) has the molecular formula C10H11F3N4S and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
PubChem CID75438787
Molecular FormulaC10H11F3N4S
Molecular Weight276.29 g/mol
Exact Mass276.07
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESCc1csc(CNc2cnn(CC(F)(F)F)c2)n1
InChIInChI=1S/C10H11F3N4S/c1-7-5-18-9(16-7)3-14-8-2-15-17(4-8)6-10(11,12)13/h2,4-5,14H,3,6H2,1H3
InChIKeyWYJXAZVSZNIXHC-UHFFFAOYSA-N
XLogP2.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

n-((2-Ethylthiazol-4-yl)methyl)-1-(1h-pyrazol-1-yl)propan-2-amine
CID 53522670
N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 53559006
1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 53596188
2-(4-methylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 53614923
N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 56781265
1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine
CID 75393046
1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 75434824
1-(2-methylpropyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 75434831
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 84592705
N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 84592807
N-[(1-methylpyrazol-4-yl)methyl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 75431500
1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine
CID 75442708

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine (CID 75438787) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine is Cc1csc(CNc2cnn(CC(F)(F)F)c2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The InChIKey is WYJXAZVSZNIXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S/c1-7-5-18-9(16-7)3-14-8-2-15-17(4-8)6-10(11,12)13/h2,4-5,14H,3,6H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine has a molecular weight of 276.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine is sourced from PubChem (CID 75438787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).