1-N-[5-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

C17H22N6O2S — CID 91801267

IUPAC1-N-[5-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
SMILESCC(C)(C)c1nccc(-c2cnc(NC(=O)N3CCCC3C(N)=O)s2)n1
InChIInChI=1S/C17H22N6O2S/c1-17(2,3)14-19-7-6-10(21-14)12-9-20-15(26-12)22-16(25)23-8-4-5-11(23)13(18)24/h6-7,9,11H,4-5,8H2,1-3H3,(H2,18,24)(H,20,22,25)
InChIKeyILIMKGDDUBUFBN-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.38
Rot. Bonds3

About 1-N-[5-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

1-N-[5-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide (PubChem CID 91801267) has the molecular formula C17H22N6O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-N-[5-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[5-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
PubChem CID91801267
Molecular FormulaC17H22N6O2S
Molecular Weight374.47 g/mol
Exact Mass374.15
IUPAC Name1-N-[5-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
SMILESCC(C)(C)c1nccc(-c2cnc(NC(=O)N3CCCC3C(N)=O)s2)n1
InChIInChI=1S/C17H22N6O2S/c1-17(2,3)14-19-7-6-10(21-14)12-9-20-15(26-12)22-16(25)23-8-4-5-11(23)13(18)24/h6-7,9,11H,4-5,8H2,1-3H3,(H2,18,24)(H,20,22,25)
InChIKeyILIMKGDDUBUFBN-UHFFFAOYSA-N
XLogP2.38
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-[5-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide (CID 91801267) is 1-N-[5-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[5-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-[5-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide is CC(C)(C)c1nccc(-c2cnc(NC(=O)N3CCCC3C(N)=O)s2)n1.
What is the InChIKey of 1-N-[5-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is ILIMKGDDUBUFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2S/c1-17(2,3)14-19-7-6-10(21-14)12-9-20-15(26-12)22-16(25)23-8-4-5-11(23)13(18)24/h6-7,9,11H,4-5,8H2,1-3H3,(H2,18,24)(H,20,22,25).
What are the key properties of 1-N-[5-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
1-N-[5-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-(2-tert-butylpyrimidin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 91801267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).