N-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide

C14H15N5O2S2 — CID 166180802

IUPACN-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCn1cc(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cn1
InChIInChI=1S/C14H15N5O2S2/c1-19-8-12(7-15-19)16-14-17-13(9-22-14)10-3-5-11(6-4-10)18-23(2,20)21/h3-9,18H,1-2H3,(H,16,17)
InChIKeyHMCBCAYHEHVUKS-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.66
Rot. Bonds5

About N-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide

N-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide (PubChem CID 166180802) has the molecular formula C14H15N5O2S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
PubChem CID166180802
Molecular FormulaC14H15N5O2S2
Molecular Weight349.44 g/mol
Exact Mass349.07
IUPAC NameN-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCn1cc(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cn1
InChIInChI=1S/C14H15N5O2S2/c1-19-8-12(7-15-19)16-14-17-13(9-22-14)10-3-5-11(6-4-10)18-23(2,20)21/h3-9,18H,1-2H3,(H,16,17)
InChIKeyHMCBCAYHEHVUKS-UHFFFAOYSA-N
XLogP2.66
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide (CID 166180802) is N-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide is Cn1cc(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cn1.
What is the InChIKey of N-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The InChIKey is HMCBCAYHEHVUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S2/c1-19-8-12(7-15-19)16-14-17-13(9-22-14)10-3-5-11(6-4-10)18-23(2,20)21/h3-9,18H,1-2H3,(H,16,17).
What are the key properties of N-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
N-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide has a molecular weight of 349.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 166180802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).