(2R)-2-(N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxyanilino)-1-morpholin-4-ylbutan-1-one

C22H31N3O3S — CID 93307130

IUPAC(2R)-2-(N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxyanilino)-1-morpholin-4-ylbutan-1-one
SMILESCC[C@H](C(=O)N1CCOCC1)N(c1ccc(OC)cc1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C22H31N3O3S/c1-6-18(20(26)24-11-13-28-14-12-24)25(16-7-9-17(27-5)10-8-16)21-23-19(15-29-21)22(2,3)4/h7-10,15,18H,6,11-14H2,1-5H3/t18-/m1/s1
InChIKeyLAJBJRHKKZESRX-GOSISDBHSA-N
MW417.58 g/mol
LogP4.22
Rot. Bonds6

About (2R)-2-(N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxyanilino)-1-morpholin-4-ylbutan-1-one

(2R)-2-(N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxyanilino)-1-morpholin-4-ylbutan-1-one (PubChem CID 93307130) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is (2R)-2-(N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxyanilino)-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-(N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxyanilino)-1-morpholin-4-ylbutan-1-one
PubChem CID93307130
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC Name(2R)-2-(N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxyanilino)-1-morpholin-4-ylbutan-1-one
SMILESCC[C@H](C(=O)N1CCOCC1)N(c1ccc(OC)cc1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C22H31N3O3S/c1-6-18(20(26)24-11-13-28-14-12-24)25(16-7-9-17(27-5)10-8-16)21-23-19(15-29-21)22(2,3)4/h7-10,15,18H,6,11-14H2,1-5H3/t18-/m1/s1
InChIKeyLAJBJRHKKZESRX-GOSISDBHSA-N
XLogP4.22
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxyanilino)-1-morpholin-4-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]anilino)-1-morpholin-4-ylbutan-1-one
CID 93307104
(2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 54322087
3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 110673887
2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 16644546
(2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 28632965
N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide
CID 121316815
4-methoxy-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 110286966
2-(4-tert-butylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 132663670
1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate)
CID 170603344
2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone
CID 134141804
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide
CID 112503691
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 79819506

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxyanilino)-1-morpholin-4-ylbutan-1-one?
The IUPAC name of (2R)-2-(N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxyanilino)-1-morpholin-4-ylbutan-1-one (CID 93307130) is (2R)-2-(N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxyanilino)-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for (2R)-2-(N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxyanilino)-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for (2R)-2-(N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxyanilino)-1-morpholin-4-ylbutan-1-one is CC[C@H](C(=O)N1CCOCC1)N(c1ccc(OC)cc1)c1nc(C(C)(C)C)cs1.
What is the InChIKey of (2R)-2-(N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxyanilino)-1-morpholin-4-ylbutan-1-one?
The InChIKey is LAJBJRHKKZESRX-GOSISDBHSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-6-18(20(26)24-11-13-28-14-12-24)25(16-7-9-17(27-5)10-8-16)21-23-19(15-29-21)22(2,3)4/h7-10,15,18H,6,11-14H2,1-5H3/t18-/m1/s1.
What are the key properties of (2R)-2-(N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxyanilino)-1-morpholin-4-ylbutan-1-one?
(2R)-2-(N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxyanilino)-1-morpholin-4-ylbutan-1-one has a molecular weight of 417.58 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxyanilino)-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 93307130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).