N'-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanediamide

C17H19FN4O3S — CID 87369712

IUPACN'-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanediamide
SMILESCC(C(N)=O)C(=O)Nc1nc(-c2ccc(F)cc2)c(N2CCOCC2)s1
InChIInChI=1S/C17H19FN4O3S/c1-10(14(19)23)15(24)21-17-20-13(11-2-4-12(18)5-3-11)16(26-17)22-6-8-25-9-7-22/h2-5,10H,6-9H2,1H3,(H2,19,23)(H,20,21,24)
InChIKeyGCHDLBARIQNFAX-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.85
Rot. Bonds5

About N'-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanediamide

N'-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanediamide (PubChem CID 87369712) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is N'-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanediamide.

Molecular Properties

Compound NameN'-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanediamide
PubChem CID87369712
Molecular FormulaC17H19FN4O3S
Molecular Weight378.43 g/mol
Exact Mass378.12
IUPAC NameN'-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanediamide
SMILESCC(C(N)=O)C(=O)Nc1nc(-c2ccc(F)cc2)c(N2CCOCC2)s1
InChIInChI=1S/C17H19FN4O3S/c1-10(14(19)23)15(24)21-17-20-13(11-2-4-12(18)5-3-11)16(26-17)22-6-8-25-9-7-22/h2-5,10H,6-9H2,1H3,(H2,19,23)(H,20,21,24)
InChIKeyGCHDLBARIQNFAX-UHFFFAOYSA-N
XLogP1.85
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-Morpholino-N-(4-phenylthiazol-2-yl)acetamide
CID 783107
2-Morpholino-N-(4-(p-tolyl)thiazol-2-yl)acetamide
CID 2336901
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-morpholinyl)acetamide
CID 1253460
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-(morpholin-4-yl)acetamide
CID 3000061
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 3223616
1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-2-methoxy-ethanone
CID 10111792
1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-2-morpholin-4-yl-ethanone
CID 10226374
1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-2-(2-methoxy-ethylamino)-ethanone
CID 44461200
1-(3,3-Diphenylpropyl)-3-(5-fluoro-4-phenyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-ylethyl)urea
CID 72725212
3-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 168292941
1-{2-[(5-Ethyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}-4-piperidinecarboxamide
CID 6460014
2-(2,6-dimethyl-4-morpholinyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 6465578

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanediamide?
The IUPAC name of N'-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanediamide (CID 87369712) is N'-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanediamide.
What is the SMILES notation for N'-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanediamide?
The canonical SMILES for N'-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanediamide is CC(C(N)=O)C(=O)Nc1nc(-c2ccc(F)cc2)c(N2CCOCC2)s1.
What is the InChIKey of N'-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanediamide?
The InChIKey is GCHDLBARIQNFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c1-10(14(19)23)15(24)21-17-20-13(11-2-4-12(18)5-3-11)16(26-17)22-6-8-25-9-7-22/h2-5,10H,6-9H2,1H3,(H2,19,23)(H,20,21,24).
What are the key properties of N'-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanediamide?
N'-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanediamide has a molecular weight of 378.43 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanediamide is sourced from PubChem (CID 87369712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).