4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide

C18H18N4O2S — CID 51122639

IUPAC4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)Nc2ccc(Oc3ncccn3)cc2)s1
InChIInChI=1S/C18H18N4O2S/c1-3-5-15-21-12(2)16(25-15)17(23)22-13-6-8-14(9-7-13)24-18-19-10-4-11-20-18/h4,6-11H,3,5H2,1-2H3,(H,22,23)
InChIKeyNVTMKAGOZBMDRP-UHFFFAOYSA-N
MW354.44 g/mol
LogP4.24
Rot. Bonds6

About 4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide

4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 51122639) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID51122639
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)Nc2ccc(Oc3ncccn3)cc2)s1
InChIInChI=1S/C18H18N4O2S/c1-3-5-15-21-12(2)16(25-15)17(23)22-13-6-8-14(9-7-13)24-18-19-10-4-11-20-18/h4,6-11H,3,5H2,1-2H3,(H,22,23)
InChIKeyNVTMKAGOZBMDRP-UHFFFAOYSA-N
XLogP4.24
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389468
2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 110387303
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
N-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 119421156
4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 47066160
2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47031545
2-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55657916
N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935655
N-(4-fluorophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 50753451
4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 28936138
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26737436
4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154346

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide (CID 51122639) is 4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide is CCCc1nc(C)c(C(=O)Nc2ccc(Oc3ncccn3)cc2)s1.
What is the InChIKey of 4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NVTMKAGOZBMDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-3-5-15-21-12(2)16(25-15)17(23)22-13-6-8-14(9-7-13)24-18-19-10-4-11-20-18/h4,6-11H,3,5H2,1-2H3,(H,22,23).
What are the key properties of 4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51122639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).