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

C15H16N6O2S2 — CID 50943377

IUPAC5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide
SMILESCc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C15H16N6O2S2/c1-8-7-17-15(11-4-5-13(24-11)25(16,22)23)19-14(8)18-12-6-10(20-21-12)9-2-3-9/h4-7,9H,2-3H2,1H3,(H2,16,22,23)(H2,17,18,19,20,21)
InChIKeyJOLXSDWLLOKVDT-UHFFFAOYSA-N
MW376.47 g/mol
LogP2.51
Rot. Bonds5

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

5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide (PubChem CID 50943377) has the molecular formula C15H16N6O2S2 and a molecular weight of 376.47 g/mol. Its IUPAC name is 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide
PubChem CID50943377
Molecular FormulaC15H16N6O2S2
Molecular Weight376.47 g/mol
Exact Mass376.08
IUPAC Name5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide
SMILESCc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C15H16N6O2S2/c1-8-7-17-15(11-4-5-13(24-11)25(16,22)23)19-14(8)18-12-6-10(20-21-12)9-2-3-9/h4-7,9H,2-3H2,1H3,(H2,16,22,23)(H2,17,18,19,20,21)
InChIKeyJOLXSDWLLOKVDT-UHFFFAOYSA-N
XLogP2.51
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide
CID 50898364
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-pyrimidin-2-yl]thiophene-2-sulfonamide
CID 50943452
3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide
CID 50943292
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide
CID 50943864
4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide
CID 58169162
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methylsulfonylphenyl)pyrimidin-4-amine
CID 70695925
CID 134815860
CID 134815860
5-[2-(Methylthio)pyrimidin-4-yl]-N-[3-(1H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide
CID 56940869
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 59757919
5-[4-[(5-Cyclopropyl-1-methyl-pyrazol-3-yl)amino]-5-methyl-pyrimidin-2-yl]thiophene-2-sulfonamide
CID 68375232
5-cyclopropyl-6-(1-methylpyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(4-methylsulfonylphenyl)methyl]pyrimidin-4-amine
CID 169155726
5-cyclopropyl-2-N-ethyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 169155866

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide (CID 50943377) is 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide is Cc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide?
The InChIKey is JOLXSDWLLOKVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S2/c1-8-7-17-15(11-4-5-13(24-11)25(16,22)23)19-14(8)18-12-6-10(20-21-12)9-2-3-9/h4-7,9H,2-3H2,1H3,(H2,16,22,23)(H2,17,18,19,20,21).
What are the key properties of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide?
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophene-2-sulfonamide has a molecular weight of 376.47 g/mol, XLogP of 2.51, 5 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]thiophene-2-sulfonamide is sourced from PubChem (CID 50943377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).