6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide

C22H19N5O2S — CID 167880403

IUPAC6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(-c2csc(CNC(=O)c3cc(Nc4ccccc4)ncn3)n2)cc1
InChIInChI=1S/C22H19N5O2S/c1-29-17-9-7-15(8-10-17)19-13-30-21(27-19)12-23-22(28)18-11-20(25-14-24-18)26-16-5-3-2-4-6-16/h2-11,13-14H,12H2,1H3,(H,23,28)(H,24,25,26)
InChIKeyCGBQVBKDXHEIRT-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.28
Rot. Bonds7

About 6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide

6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 167880403) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is 6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide
PubChem CID167880403
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC Name6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(-c2csc(CNC(=O)c3cc(Nc4ccccc4)ncn3)n2)cc1
InChIInChI=1S/C22H19N5O2S/c1-29-17-9-7-15(8-10-17)19-13-30-21(27-19)12-23-22(28)18-11-20(25-14-24-18)26-16-5-3-2-4-6-16/h2-11,13-14H,12H2,1H3,(H,23,28)(H,24,25,26)
InChIKeyCGBQVBKDXHEIRT-UHFFFAOYSA-N
XLogP4.28
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663365
3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 71691502
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663425
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679
6-(2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349205
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110393653
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-propylpyrazole-3-carboxamide
CID 75537700
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110351799
6-(3,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349236
cis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 95756886
3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110318175
N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109346723

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide (CID 167880403) is 6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide is COc1ccc(-c2csc(CNC(=O)c3cc(Nc4ccccc4)ncn3)n2)cc1.
What is the InChIKey of 6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is CGBQVBKDXHEIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-29-17-9-7-15(8-10-17)19-13-30-21(27-19)12-23-22(28)18-11-20(25-14-24-18)26-16-5-3-2-4-6-16/h2-11,13-14H,12H2,1H3,(H,23,28)(H,24,25,26).
What are the key properties of 6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide?
6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 167880403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).