2-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C16H16F3N7S — CID 135374667

IUPAC2-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(C3CCc4ncsc43)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C16H16F3N7S/c1-8-11(6-26(25-8)12-4-3-10-13(12)27-7-22-10)23-15-21-5-9(16(17,18)19)14(20-2)24-15/h5-7,12H,3-4H2,1-2H3,(H2,20,21,23,24)
InChIKeyQQDOXGFRAHFRKQ-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.78
Rot. Bonds4

About 2-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 135374667) has the molecular formula C16H16F3N7S and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID135374667
Molecular FormulaC16H16F3N7S
Molecular Weight395.41 g/mol
Exact Mass395.11
IUPAC Name2-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(C3CCc4ncsc43)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C16H16F3N7S/c1-8-11(6-26(25-8)12-4-3-10-13(12)27-7-22-10)23-15-21-5-9(16(17,18)19)14(20-2)24-15/h5-7,12H,3-4H2,1-2H3,(H2,20,21,23,24)
InChIKeyQQDOXGFRAHFRKQ-UHFFFAOYSA-N
XLogP3.78
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 135374667) is 2-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cn(C3CCc4ncsc43)nc2C)ncc1C(F)(F)F.
What is the InChIKey of 2-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is QQDOXGFRAHFRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7S/c1-8-11(6-26(25-8)12-4-3-10-13(12)27-7-22-10)23-15-21-5-9(16(17,18)19)14(20-2)24-15/h5-7,12H,3-4H2,1-2H3,(H2,20,21,23,24).
What are the key properties of 2-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 395.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 135374667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).