N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride

C16H18ClFN4O3S — CID 119697771

IUPACN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)C3COCCN3)n2)c(F)c1.Cl
InChIInChI=1S/C16H17FN4O3S.ClH/c1-9(22)19-10-2-3-11(12(17)6-10)14-8-25-16(20-14)21-15(23)13-7-24-5-4-18-13;/h2-3,6,8,13,18H,4-5,7H2,1H3,(H,19,22)(H,20,21,23);1H
InChIKeyHLOFUXNECQCXNV-UHFFFAOYSA-N
MW400.86 g/mol
LogP2.26
Rot. Bonds4

About N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride

N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119697771) has the molecular formula C16H18ClFN4O3S and a molecular weight of 400.86 g/mol. Its IUPAC name is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
PubChem CID119697771
Molecular FormulaC16H18ClFN4O3S
Molecular Weight400.86 g/mol
Exact Mass400.08
IUPAC NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)C3COCCN3)n2)c(F)c1.Cl
InChIInChI=1S/C16H17FN4O3S.ClH/c1-9(22)19-10-2-3-11(12(17)6-10)14-8-25-16(20-14)21-15(23)13-7-24-5-4-18-13;/h2-3,6,8,13,18H,4-5,7H2,1H3,(H,19,22)(H,20,21,23);1H
InChIKeyHLOFUXNECQCXNV-UHFFFAOYSA-N
XLogP2.26
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.86
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1R,2R)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40856431
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119689444
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119693768
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 17404298
(3S)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 26207190
N-[2-[[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 55649957
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide
CID 119275665
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-bromoadamantane-1-carboxamide
CID 55461350
N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356323
N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide
CID 9356412
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride
CID 119764589

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride (CID 119697771) is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride is CC(=O)Nc1ccc(-c2csc(NC(=O)C3COCCN3)n2)c(F)c1.Cl.
What is the InChIKey of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is HLOFUXNECQCXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3S.ClH/c1-9(22)19-10-2-3-11(12(17)6-10)14-8-25-16(20-14)21-15(23)13-7-24-5-4-18-13;/h2-3,6,8,13,18H,4-5,7H2,1H3,(H,19,22)(H,20,21,23);1H.
What are the key properties of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 400.86 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119697771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).