4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide

C18H21N3O3S — CID 124842272

IUPAC4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)c1nccs1
InChIInChI=1S/C18H21N3O3S/c1-2-15(17-19-7-12-25-17)20-16(22)13-3-5-14(6-4-13)18(23)21-8-10-24-11-9-21/h3-7,12,15H,2,8-11H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyBYZIDHXQXOPOIT-OAHLLOKOSA-N
MW359.45 g/mol
LogP2.50
Rot. Bonds5

About 4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide

4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide (PubChem CID 124842272) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
PubChem CID124842272
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)c1nccs1
InChIInChI=1S/C18H21N3O3S/c1-2-15(17-19-7-12-25-17)20-16(22)13-3-5-14(6-4-13)18(23)21-8-10-24-11-9-21/h3-7,12,15H,2,8-11H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyBYZIDHXQXOPOIT-OAHLLOKOSA-N
XLogP2.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 124596949
3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 111439100
5,8-difluoro-N-[1-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71922981
[6-[1-(2-methylpyrazol-3-yl)propylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 134709508
4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide
CID 125436740
N-butan-2-yl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834706
N-[(1R)-3-methyl-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]pyridazine-4-carboxamide
CID 171386800
5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616520
2-(cyclopropylmethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119890777
1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide
CID 72871127
morpholin-4-yl-[6-[[(1R)-1-phenylpropyl]amino]-3-pyridinyl]methanone
CID 135087529

Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide?
The IUPAC name of 4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide (CID 124842272) is 4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide?
The canonical SMILES for 4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide is CC[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)c1nccs1.
What is the InChIKey of 4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide?
The InChIKey is BYZIDHXQXOPOIT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-2-15(17-19-7-12-25-17)20-16(22)13-3-5-14(6-4-13)18(23)21-8-10-24-11-9-21/h3-7,12,15H,2,8-11H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of 4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide?
4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide has a molecular weight of 359.45 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 124842272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).