4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide

C20H27N3O2S — CID 30469024

IUPAC4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NC[C@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C20H27N3O2S/c1-14(2)12-23-9-10-25-17(13-23)11-21-19(24)18-15(3)22-20(26-18)16-7-5-4-6-8-16/h4-8,14,17H,9-13H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyRAHSNNMEBGJEHD-KRWDZBQOSA-N
MW373.52 g/mol
LogP3.21
Rot. Bonds6

About 4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide

4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 30469024) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID30469024
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NC[C@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C20H27N3O2S/c1-14(2)12-23-9-10-25-17(13-23)11-21-19(24)18-15(3)22-20(26-18)16-7-5-4-6-8-16/h4-8,14,17H,9-13H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyRAHSNNMEBGJEHD-KRWDZBQOSA-N
XLogP3.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 24642445
1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 55535969
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide
CID 47013454
2-(furan-2-yl)-4-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-6-methylsulfanylpyrimidine-5-carboxamide
CID 78844839
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indazole-3-carboxamide
CID 30538306
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 114400020
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide
CID 167831678
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 94014996
1-benzyl-3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiourea
CID 9283755

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 30469024) is 4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H]1CN(CC(C)C)CCO1.
What is the InChIKey of 4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is RAHSNNMEBGJEHD-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-14(2)12-23-9-10-25-17(13-23)11-21-19(24)18-15(3)22-20(26-18)16-7-5-4-6-8-16/h4-8,14,17H,9-13H2,1-3H3,(H,21,24)/t17-/m0/s1.
What are the key properties of 4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30469024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).