1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea

C21H24N4O4S2 — CID 2346421

IUPAC1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea
SMILESC[C@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccc(S(=O)(=O)N3CCOCC3)cc2)S1
InChIInChI=1S/C21H24N4O4S2/c1-16-15-22-21(30-16)25(20(26)23-17-5-3-2-4-6-17)18-7-9-19(10-8-18)31(27,28)24-11-13-29-14-12-24/h2-10,16H,11-15H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyLTEVOMASWKSYKC-INIZCTEOSA-N
MW460.58 g/mol
LogP3.24
Rot. Bonds4

About 1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea

1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea (PubChem CID 2346421) has the molecular formula C21H24N4O4S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea
PubChem CID2346421
Molecular FormulaC21H24N4O4S2
Molecular Weight460.58 g/mol
Exact Mass460.12
IUPAC Name1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea
SMILESC[C@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccc(S(=O)(=O)N3CCOCC3)cc2)S1
InChIInChI=1S/C21H24N4O4S2/c1-16-15-22-21(30-16)25(20(26)23-17-5-3-2-4-6-17)18-7-9-19(10-8-18)31(27,28)24-11-13-29-14-12-24/h2-10,16H,11-15H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyLTEVOMASWKSYKC-INIZCTEOSA-N
XLogP3.24
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea
CID 40577280
1-methyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea
CID 23940437
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152446
3-(4-morpholin-4-ylsulfonylphenyl)-1-phenyl-1-propan-2-ylthiourea
CID 2421734
2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342
1-ethyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea
CID 23880704
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
CID 1108171
(Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 1309506
N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide
CID 4643270
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea?
The IUPAC name of 1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea (CID 2346421) is 1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea.
What is the SMILES notation for 1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea?
The canonical SMILES for 1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea is C[C@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccc(S(=O)(=O)N3CCOCC3)cc2)S1.
What is the InChIKey of 1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea?
The InChIKey is LTEVOMASWKSYKC-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N4O4S2/c1-16-15-22-21(30-16)25(20(26)23-17-5-3-2-4-6-17)18-7-9-19(10-8-18)31(27,28)24-11-13-29-14-12-24/h2-10,16H,11-15H2,1H3,(H,23,26)/t16-/m0/s1.
What are the key properties of 1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea?
1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea has a molecular weight of 460.58 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea is sourced from PubChem (CID 2346421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).