N-[4-[2-(ethylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]methanesulfonamide

C15H16N6O2S2 — CID 118741415

IUPACN-[4-[2-(ethylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]methanesulfonamide
SMILESCCNc1nc(-c2cccnc2)c(-c2ccnc(NS(C)(=O)=O)n2)s1
InChIInChI=1S/C15H16N6O2S2/c1-3-17-15-20-12(10-5-4-7-16-9-10)13(24-15)11-6-8-18-14(19-11)21-25(2,22)23/h4-9H,3H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyGBMKENOBCLIBFM-UHFFFAOYSA-N
MW376.47 g/mol
LogP2.47
Rot. Bonds6

About N-[4-[2-(ethylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]methanesulfonamide

N-[4-[2-(ethylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]methanesulfonamide (PubChem CID 118741415) has the molecular formula C15H16N6O2S2 and a molecular weight of 376.47 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]methanesulfonamide
PubChem CID118741415
Molecular FormulaC15H16N6O2S2
Molecular Weight376.47 g/mol
Exact Mass376.08
IUPAC NameN-[4-[2-(ethylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]methanesulfonamide
SMILESCCNc1nc(-c2cccnc2)c(-c2ccnc(NS(C)(=O)=O)n2)s1
InChIInChI=1S/C15H16N6O2S2/c1-3-17-15-20-12(10-5-4-7-16-9-10)13(24-15)11-6-8-18-14(19-11)21-25(2,22)23/h4-9H,3H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyGBMKENOBCLIBFM-UHFFFAOYSA-N
XLogP2.47
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]methanesulfonamide?
The IUPAC name of N-[4-[2-(ethylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]methanesulfonamide (CID 118741415) is N-[4-[2-(ethylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(ethylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]methanesulfonamide is CCNc1nc(-c2cccnc2)c(-c2ccnc(NS(C)(=O)=O)n2)s1.
What is the InChIKey of N-[4-[2-(ethylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]methanesulfonamide?
The InChIKey is GBMKENOBCLIBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S2/c1-3-17-15-20-12(10-5-4-7-16-9-10)13(24-15)11-6-8-18-14(19-11)21-25(2,22)23/h4-9H,3H2,1-2H3,(H,17,20)(H,18,19,21).
What are the key properties of N-[4-[2-(ethylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]methanesulfonamide?
N-[4-[2-(ethylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]methanesulfonamide has a molecular weight of 376.47 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]methanesulfonamide is sourced from PubChem (CID 118741415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).