2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide

C10H13N5O2S2 — CID 63283908

IUPAC2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCc2scnc2C)cn1
InChIInChI=1S/C10H13N5O2S2/c1-7-9(18-6-14-7)5-15-19(16,17)8-3-12-10(11-2)13-4-8/h3-4,6,15H,5H2,1-2H3,(H,11,12,13)
InChIKeyJWJAQSNYLTWIFU-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.76
Rot. Bonds5

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

2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide (PubChem CID 63283908) has the molecular formula C10H13N5O2S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide
PubChem CID63283908
Molecular FormulaC10H13N5O2S2
Molecular Weight299.38 g/mol
Exact Mass299.05
IUPAC Name2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCc2scnc2C)cn1
InChIInChI=1S/C10H13N5O2S2/c1-7-9(18-6-14-7)5-15-19(16,17)8-3-12-10(11-2)13-4-8/h3-4,6,15H,5H2,1-2H3,(H,11,12,13)
InChIKeyJWJAQSNYLTWIFU-UHFFFAOYSA-N
XLogP0.76
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide (CID 63283908) is 2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)NCc2scnc2C)cn1.
What is the InChIKey of 2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide?
The InChIKey is JWJAQSNYLTWIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S2/c1-7-9(18-6-14-7)5-15-19(16,17)8-3-12-10(11-2)13-4-8/h3-4,6,15H,5H2,1-2H3,(H,11,12,13).
What are the key properties of 2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide?
2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide has a molecular weight of 299.38 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 63283908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).