N-ethyl-4-methyl-5-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine

C17H19N5O2S2 — CID 11682552

IUPACN-ethyl-4-methyl-5-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCCNc1nc(C)c(-c2ccnc(Nc3cccc(S(C)(=O)=O)c3)n2)s1
InChIInChI=1S/C17H19N5O2S2/c1-4-18-17-20-11(2)15(25-17)14-8-9-19-16(22-14)21-12-6-5-7-13(10-12)26(3,23)24/h5-10H,4H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyXUKYEEYMPUGKNF-UHFFFAOYSA-N
MW389.51 g/mol
LogP3.49
Rot. Bonds6

About N-ethyl-4-methyl-5-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine

N-ethyl-4-methyl-5-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 11682552) has the molecular formula C17H19N5O2S2 and a molecular weight of 389.51 g/mol. Its IUPAC name is N-ethyl-4-methyl-5-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-5-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID11682552
Molecular FormulaC17H19N5O2S2
Molecular Weight389.51 g/mol
Exact Mass389.10
IUPAC NameN-ethyl-4-methyl-5-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCCNc1nc(C)c(-c2ccnc(Nc3cccc(S(C)(=O)=O)c3)n2)s1
InChIInChI=1S/C17H19N5O2S2/c1-4-18-17-20-11(2)15(25-17)14-8-9-19-16(22-14)21-12-6-5-7-13(10-12)26(3,23)24/h5-10H,4H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyXUKYEEYMPUGKNF-UHFFFAOYSA-N
XLogP3.49
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-5-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-4-methyl-5-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 11682552) is N-ethyl-4-methyl-5-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-5-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-4-methyl-5-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is CCNc1nc(C)c(-c2ccnc(Nc3cccc(S(C)(=O)=O)c3)n2)s1.
What is the InChIKey of N-ethyl-4-methyl-5-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is XUKYEEYMPUGKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S2/c1-4-18-17-20-11(2)15(25-17)14-8-9-19-16(22-14)21-12-6-5-7-13(10-12)26(3,23)24/h5-10H,4H2,1-3H3,(H,18,20)(H,19,21,22).
What are the key properties of N-ethyl-4-methyl-5-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
N-ethyl-4-methyl-5-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 389.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-5-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 11682552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).