2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide

C16H23N5O2S2 — CID 110100418

IUPAC2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCc1cc(-c2nc(C)c(C)s2)nc(C2CCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C16H23N5O2S2/c1-10-9-13(16-18-11(2)12(3)24-16)19-15(17-10)14-7-6-8-21(14)25(22,23)20(4)5/h9,14H,6-8H2,1-5H3
InChIKeyBXPKLJXVOSQIDE-UHFFFAOYSA-N
MW381.53 g/mol
LogP2.47
Rot. Bonds4

About 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide

2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 110100418) has the molecular formula C16H23N5O2S2 and a molecular weight of 381.53 g/mol. Its IUPAC name is 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID110100418
Molecular FormulaC16H23N5O2S2
Molecular Weight381.53 g/mol
Exact Mass381.13
IUPAC Name2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCc1cc(-c2nc(C)c(C)s2)nc(C2CCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C16H23N5O2S2/c1-10-9-13(16-18-11(2)12(3)24-16)19-15(17-10)14-7-6-8-21(14)25(22,23)20(4)5/h9,14H,6-8H2,1-5H3
InChIKeyBXPKLJXVOSQIDE-UHFFFAOYSA-N
XLogP2.47
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide (CID 110100418) is 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide is Cc1cc(-c2nc(C)c(C)s2)nc(C2CCCN2S(=O)(=O)N(C)C)n1.
What is the InChIKey of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is BXPKLJXVOSQIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S2/c1-10-9-13(16-18-11(2)12(3)24-16)19-15(17-10)14-7-6-8-21(14)25(22,23)20(4)5/h9,14H,6-8H2,1-5H3.
What are the key properties of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 381.53 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 110100418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).