N-[4-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)phenyl]methanesulfonamide

C13H15N3O2S2 — CID 9318975

IUPACN-[4-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=CSC3=NCCCN23)cc1
InChIInChI=1S/C13H15N3O2S2/c1-20(17,18)15-11-5-3-10(4-6-11)12-9-19-13-14-7-2-8-16(12)13/h3-6,9,15H,2,7-8H2,1H3
InChIKeyKNYMRKDBWGUECX-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.16
Rot. Bonds3

About N-[4-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)phenyl]methanesulfonamide

N-[4-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)phenyl]methanesulfonamide (PubChem CID 9318975) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-[4-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)phenyl]methanesulfonamide
PubChem CID9318975
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC NameN-[4-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=CSC3=NCCCN23)cc1
InChIInChI=1S/C13H15N3O2S2/c1-20(17,18)15-11-5-3-10(4-6-11)12-9-19-13-14-7-2-8-16(12)13/h3-6,9,15H,2,7-8H2,1H3
InChIKeyKNYMRKDBWGUECX-UHFFFAOYSA-N
XLogP2.16
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide
CID 117054849
3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide
CID 15563871
4-chloro-N-[4-(2,2-dioxo-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazin-6-yl)phenyl]benzenesulfonamide
CID 2388846
N-[(2R)-4-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]butan-2-yl]acetamide
CID 98260408
4-[4-(methanesulfonamido)phenyl]benzenesulfonic acid
CID 90200210
N-[4-(2-methylphenyl)phenyl]methanesulfonamide
CID 59877138
N-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methanesulfonamide
CID 70285052
N-[[(2S,4S)-1-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide
CID 70758854
N-[4-(1,6,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13-tetraen-3-yl)phenyl]methanesulfonamide
CID 19761106
N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide
CID 15735407
N-[4-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]methanesulfonamide
CID 163921898
N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)phenyl]methanesulfonamide (CID 9318975) is N-[4-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C2=CSC3=NCCCN23)cc1.
What is the InChIKey of N-[4-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)phenyl]methanesulfonamide?
The InChIKey is KNYMRKDBWGUECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-20(17,18)15-11-5-3-10(4-6-11)12-9-19-13-14-7-2-8-16(12)13/h3-6,9,15H,2,7-8H2,1H3.
What are the key properties of N-[4-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)phenyl]methanesulfonamide?
N-[4-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)phenyl]methanesulfonamide has a molecular weight of 309.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 9318975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).