N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide

C11H13N5O2S2 — CID 62157575

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2nc(C3CC3)cs2)cn1
InChIInChI=1S/C11H13N5O2S2/c1-12-10-13-4-8(5-14-10)20(17,18)16-11-15-9(6-19-11)7-2-3-7/h4-7H,2-3H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyOYSZEPPSWFAKDJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.65
Rot. Bonds5

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 62157575) has the molecular formula C11H13N5O2S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID62157575
Molecular FormulaC11H13N5O2S2
Molecular Weight311.39 g/mol
Exact Mass311.05
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2nc(C3CC3)cs2)cn1
InChIInChI=1S/C11H13N5O2S2/c1-12-10-13-4-8(5-14-10)20(17,18)16-11-15-9(6-19-11)7-2-3-7/h4-7H,2-3H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyOYSZEPPSWFAKDJ-UHFFFAOYSA-N
XLogP1.65
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide (CID 62157575) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)Nc2nc(C3CC3)cs2)cn1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is OYSZEPPSWFAKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S2/c1-12-10-13-4-8(5-14-10)20(17,18)16-11-15-9(6-19-11)7-2-3-7/h4-7H,2-3H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 311.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62157575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).