(4-methoxyphenyl)methyl-[4-(6-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-yl]carbamic acid

C21H22N4O4S — CID 146197537

IUPAC(4-methoxyphenyl)methyl-[4-(6-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-yl]carbamic acid
SMILESCOc1ccc(CN(C(=O)O)c2nc(-c3cccc(N4CCOCC4)n3)cs2)cc1
InChIInChI=1S/C21H22N4O4S/c1-28-16-7-5-15(6-8-16)13-25(21(26)27)20-23-18(14-30-20)17-3-2-4-19(22-17)24-9-11-29-12-10-24/h2-8,14H,9-13H2,1H3,(H,26,27)
InChIKeyHYINYRNIMHVVOL-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.73
Rot. Bonds6

About (4-methoxyphenyl)methyl-[4-(6-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-yl]carbamic acid

(4-methoxyphenyl)methyl-[4-(6-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 146197537) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-[4-(6-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-[4-(6-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-yl]carbamic acid
PubChem CID146197537
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name(4-methoxyphenyl)methyl-[4-(6-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-yl]carbamic acid
SMILESCOc1ccc(CN(C(=O)O)c2nc(-c3cccc(N4CCOCC4)n3)cs2)cc1
InChIInChI=1S/C21H22N4O4S/c1-28-16-7-5-15(6-8-16)13-25(21(26)27)20-23-18(14-30-20)17-3-2-4-19(22-17)24-9-11-29-12-10-24/h2-8,14H,9-13H2,1H3,(H,26,27)
InChIKeyHYINYRNIMHVVOL-UHFFFAOYSA-N
XLogP3.73
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-bromo-1,3-thiazol-2-yl)-[(4-methoxyphenyl)methyl]carbamic acid
CID 146190066
N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1172662
2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1175856
N-benzyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 1138529
N-benzyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 3369631
2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 1172776
N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886390
7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122318745
N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
CID 167466276
4-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine
CID 19041101
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
[2-[benzyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 24600773

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-[4-(6-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of (4-methoxyphenyl)methyl-[4-(6-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-yl]carbamic acid (CID 146197537) is (4-methoxyphenyl)methyl-[4-(6-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for (4-methoxyphenyl)methyl-[4-(6-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for (4-methoxyphenyl)methyl-[4-(6-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-yl]carbamic acid is COc1ccc(CN(C(=O)O)c2nc(-c3cccc(N4CCOCC4)n3)cs2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-[4-(6-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is HYINYRNIMHVVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-28-16-7-5-15(6-8-16)13-25(21(26)27)20-23-18(14-30-20)17-3-2-4-19(22-17)24-9-11-29-12-10-24/h2-8,14H,9-13H2,1H3,(H,26,27).
What are the key properties of (4-methoxyphenyl)methyl-[4-(6-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-yl]carbamic acid?
(4-methoxyphenyl)methyl-[4-(6-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 426.50 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-[4-(6-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 146197537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).