3-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-6-amine

C12H10F3N5S — CID 167904562

IUPAC3-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-6-amine
SMILESCc1cnn2cc(NCc3csc(C(F)(F)F)n3)cnc12
InChIInChI=1S/C12H10F3N5S/c1-7-2-18-20-5-8(3-17-10(7)20)16-4-9-6-21-11(19-9)12(13,14)15/h2-3,5-6,16H,4H2,1H3
InChIKeyRLMYGTMDONTTPJ-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.13
Rot. Bonds3

About 3-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-6-amine

3-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-6-amine (PubChem CID 167904562) has the molecular formula C12H10F3N5S and a molecular weight of 313.31 g/mol. Its IUPAC name is 3-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name3-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-6-amine
PubChem CID167904562
Molecular FormulaC12H10F3N5S
Molecular Weight313.31 g/mol
Exact Mass313.06
IUPAC Name3-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-6-amine
SMILESCc1cnn2cc(NCc3csc(C(F)(F)F)n3)cnc12
InChIInChI=1S/C12H10F3N5S/c1-7-2-18-20-5-8(3-17-10(7)20)16-4-9-6-21-11(19-9)12(13,14)15/h2-3,5-6,16H,4H2,1H3
InChIKeyRLMYGTMDONTTPJ-UHFFFAOYSA-N
XLogP3.13
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-6-amine with MolForge

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Related Compounds

5-[4-Amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 127032965
5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 127032966
4-Methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazole
CID 17450765
4-[(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 53567549
4-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 53570292
2-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 56780239
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56908597
1-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 71932887
2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 72153025
1-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 72153858
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95882902
N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 96451330

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 3-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-6-amine (CID 167904562) is 3-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 3-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 3-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-6-amine is Cc1cnn2cc(NCc3csc(C(F)(F)F)n3)cnc12.
What is the InChIKey of 3-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-6-amine?
The InChIKey is RLMYGTMDONTTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5S/c1-7-2-18-20-5-8(3-17-10(7)20)16-4-9-6-21-11(19-9)12(13,14)15/h2-3,5-6,16H,4H2,1H3.
What are the key properties of 3-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-6-amine?
3-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-6-amine has a molecular weight of 313.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 167904562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).