N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

C20H15N5O3S — CID 55873301

IUPACN-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)c2csc(-c3ncccn3)n2)cc1
InChIInChI=1S/C20H15N5O3S/c1-27-13-5-7-14(8-6-13)28-19-15(4-2-9-23-19)24-18(26)16-12-29-20(25-16)17-21-10-3-11-22-17/h2-12H,1H3,(H,24,26)
InChIKeyXCXLSRQOYIFCRX-UHFFFAOYSA-N
MW405.44 g/mol
LogP4.05
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 55873301) has the molecular formula C20H15N5O3S and a molecular weight of 405.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID55873301
Molecular FormulaC20H15N5O3S
Molecular Weight405.44 g/mol
Exact Mass405.09
IUPAC NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)c2csc(-c3ncccn3)n2)cc1
InChIInChI=1S/C20H15N5O3S/c1-27-13-5-7-14(8-6-13)28-19-15(4-2-9-23-19)24-18(26)16-12-29-20(25-16)17-21-10-3-11-22-17/h2-12H,1H3,(H,24,26)
InChIKeyXCXLSRQOYIFCRX-UHFFFAOYSA-N
XLogP4.05
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(4-methoxyphenoxy)-3-pyridinyl]acetamide
CID 154411578
N-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 60529832
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 2728304
2-bromo-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55764139
2-(aminomethyl)-N-(2-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66375890
N-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 51085163
N-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86821917
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805
2-chloro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylsulfonylbenzamide
CID 55763392
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55663053
4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55661532
N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110409324

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (CID 55873301) is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is COc1ccc(Oc2ncccc2NC(=O)c2csc(-c3ncccn3)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is XCXLSRQOYIFCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3S/c1-27-13-5-7-14(8-6-13)28-19-15(4-2-9-23-19)24-18(26)16-12-29-20(25-16)17-21-10-3-11-22-17/h2-12H,1H3,(H,24,26).
What are the key properties of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 405.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55873301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).