N-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide

C22H19N5O2S — CID 90506073

IUPACN-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccc2)cc1)c1csc(Nc2ncccn2)n1
InChIInChI=1S/C22H19N5O2S/c28-20(19-15-30-22(26-19)27-21-23-11-4-12-24-21)25-13-16-7-9-18(10-8-16)29-14-17-5-2-1-3-6-17/h1-12,15H,13-14H2,(H,25,28)(H,23,24,26,27)
InChIKeySTAUZBGPBLMCET-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.19
Rot. Bonds8

About N-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide

N-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 90506073) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID90506073
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC NameN-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccc2)cc1)c1csc(Nc2ncccn2)n1
InChIInChI=1S/C22H19N5O2S/c28-20(19-15-30-22(26-19)27-21-23-11-4-12-24-21)25-13-16-7-9-18(10-8-16)29-14-17-5-2-1-3-6-17/h1-12,15H,13-14H2,(H,25,28)(H,23,24,26,27)
InChIKeySTAUZBGPBLMCET-UHFFFAOYSA-N
XLogP4.19
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90505960
N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
N-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90505942
2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 30860119
N-benzyl-2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065802
2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 90509881
N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5140917
2-(2-chloro-4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066764
N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide
CID 117089108
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42865798

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide (CID 90506073) is N-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide is O=C(NCc1ccc(OCc2ccccc2)cc1)c1csc(Nc2ncccn2)n1.
What is the InChIKey of N-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is STAUZBGPBLMCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c28-20(19-15-30-22(26-19)27-21-23-11-4-12-24-21)25-13-16-7-9-18(10-8-16)29-14-17-5-2-1-3-6-17/h1-12,15H,13-14H2,(H,25,28)(H,23,24,26,27).
What are the key properties of N-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
N-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90506073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).