2,4-dimethyl-N-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole-5-sulfonamide

C12H16N4O2S2 — CID 167818787

IUPAC2,4-dimethyl-N-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)Nc2ncncc2C(C)C)s1
InChIInChI=1S/C12H16N4O2S2/c1-7(2)10-5-13-6-14-11(10)16-20(17,18)12-8(3)15-9(4)19-12/h5-7H,1-4H3,(H,13,14,16)
InChIKeyXVYUCYLONUVKHX-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.47
Rot. Bonds4

About 2,4-dimethyl-N-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole-5-sulfonamide

2,4-dimethyl-N-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 167818787) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole-5-sulfonamide
PubChem CID167818787
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name2,4-dimethyl-N-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)Nc2ncncc2C(C)C)s1
InChIInChI=1S/C12H16N4O2S2/c1-7(2)10-5-13-6-14-11(10)16-20(17,18)12-8(3)15-9(4)19-12/h5-7H,1-4H3,(H,13,14,16)
InChIKeyXVYUCYLONUVKHX-UHFFFAOYSA-N
XLogP2.47
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2,4-dimethyl-N-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole-5-sulfonamide (CID 167818787) is 2,4-dimethyl-N-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)Nc2ncncc2C(C)C)s1.
What is the InChIKey of 2,4-dimethyl-N-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is XVYUCYLONUVKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-7(2)10-5-13-6-14-11(10)16-20(17,18)12-8(3)15-9(4)19-12/h5-7H,1-4H3,(H,13,14,16).
What are the key properties of 2,4-dimethyl-N-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole-5-sulfonamide?
2,4-dimethyl-N-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 167818787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).