N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide

C22H21N3O3S — CID 29324285

IUPACN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H21N3O3S/c26-21(24-22-23-15(14-29-22)13-25-9-11-27-12-10-25)20-16-5-1-3-7-18(16)28-19-8-4-2-6-17(19)20/h1-8,14,20H,9-13H2,(H,23,24,26)
InChIKeyJBHFLYLHFHHCHS-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.85
Rot. Bonds4

About N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide

N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide (PubChem CID 29324285) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
PubChem CID29324285
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H21N3O3S/c26-21(24-22-23-15(14-29-22)13-25-9-11-27-12-10-25)20-16-5-1-3-7-18(16)28-19-8-4-2-6-17(19)20/h1-8,14,20H,9-13H2,(H,23,24,26)
InChIKeyJBHFLYLHFHHCHS-UHFFFAOYSA-N
XLogP3.85
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 42933445
2-amino-2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830508
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119830551
2-(4-hydroxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78837285
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 30547818
(E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide
CID 94649834
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-(2-phenylphenoxy)acetamide
CID 17472342
6-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 29324984
2-ethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547705
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-naphthalen-2-ylpropanamide
CID 55855793
2-methyl-N-[2-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 46525050

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide (CID 29324285) is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide is O=C(Nc1nc(CN2CCOCC2)cs1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide?
The InChIKey is JBHFLYLHFHHCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c26-21(24-22-23-15(14-29-22)13-25-9-11-27-12-10-25)20-16-5-1-3-7-18(16)28-19-8-4-2-6-17(19)20/h1-8,14,20H,9-13H2,(H,23,24,26).
What are the key properties of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide?
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 29324285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).