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

C17H22N4O2S — CID 11336940

IUPACN-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)Nc1nc(C)c(-c2ccnc(C(C)(C)C)n2)s1
InChIInChI=1S/C17H22N4O2S/c1-10(22)6-7-13(23)21-16-19-11(2)14(24-16)12-8-9-18-15(20-12)17(3,4)5/h8-9H,6-7H2,1-5H3,(H,19,21,23)
InChIKeyNULGTWPBDFGFIP-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.51
Rot. Bonds5

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

N-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-oxopentanamide (PubChem CID 11336940) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-oxopentanamide
PubChem CID11336940
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)Nc1nc(C)c(-c2ccnc(C(C)(C)C)n2)s1
InChIInChI=1S/C17H22N4O2S/c1-10(22)6-7-13(23)21-16-19-11(2)14(24-16)12-8-9-18-15(20-12)17(3,4)5/h8-9H,6-7H2,1-5H3,(H,19,21,23)
InChIKeyNULGTWPBDFGFIP-UHFFFAOYSA-N
XLogP3.51
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea
CID 87306595
3-[[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 87307425
3-[[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 87307202
ethyl 2-[[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]propanoate
CID 87307679
(2S,4R)-1-N-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 42646248
N-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 91284431
(2S)-2-benzyl-1-N-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 42644600
[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea
CID 175846540
(2S)-1-N-[5-[2-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 59293648
3-amino-N-[4-methyl-5-[2-(3-nitrosoanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]propanamide
CID 88968849
(2S)-1-N-[5-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 134149428
N,4-dimethyl-5-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 143143329

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-oxopentanamide?
The IUPAC name of N-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-oxopentanamide (CID 11336940) is N-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-oxopentanamide.
What is the SMILES notation for N-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-oxopentanamide?
The canonical SMILES for N-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-oxopentanamide is CC(=O)CCC(=O)Nc1nc(C)c(-c2ccnc(C(C)(C)C)n2)s1.
What is the InChIKey of N-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-oxopentanamide?
The InChIKey is NULGTWPBDFGFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-10(22)6-7-13(23)21-16-19-11(2)14(24-16)12-8-9-18-15(20-12)17(3,4)5/h8-9H,6-7H2,1-5H3,(H,19,21,23).
What are the key properties of N-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-oxopentanamide?
N-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-oxopentanamide has a molecular weight of 346.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-oxopentanamide is sourced from PubChem (CID 11336940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).