5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide

C16H18N6O2S2 — CID 50943371

IUPAC5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2ncc(C)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C16H18N6O2S2/c1-9-8-18-16(12-5-6-14(25-12)26(23,24)17-2)20-15(9)19-13-7-11(21-22-13)10-3-4-10/h5-8,10,17H,3-4H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyGFWDNZPFHRJEQN-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.77
Rot. Bonds6

About 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide

5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide (PubChem CID 50943371) has the molecular formula C16H18N6O2S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide
PubChem CID50943371
Molecular FormulaC16H18N6O2S2
Molecular Weight390.49 g/mol
Exact Mass390.09
IUPAC Name5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2ncc(C)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C16H18N6O2S2/c1-9-8-18-16(12-5-6-14(25-12)26(23,24)17-2)20-15(9)19-13-7-11(21-22-13)10-3-4-10/h5-8,10,17H,3-4H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyGFWDNZPFHRJEQN-UHFFFAOYSA-N
XLogP2.77
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide (CID 50943371) is 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide is CNS(=O)(=O)c1ccc(-c2ncc(C)c(Nc3cc(C4CC4)[nH]n3)n2)s1.
What is the InChIKey of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide?
The InChIKey is GFWDNZPFHRJEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S2/c1-9-8-18-16(12-5-6-14(25-12)26(23,24)17-2)20-15(9)19-13-7-11(21-22-13)10-3-4-10/h5-8,10,17H,3-4H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide?
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide has a molecular weight of 390.49 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 50943371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).