(E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide

C19H22FN3OS — CID 108767973

IUPAC(E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
SMILESCC1CCCCN1Cc1cnc(NC(=O)/C=C/c2ccc(F)cc2)s1
InChIInChI=1S/C19H22FN3OS/c1-14-4-2-3-11-23(14)13-17-12-21-19(25-17)22-18(24)10-7-15-5-8-16(20)9-6-15/h5-10,12,14H,2-4,11,13H2,1H3,(H,21,22,24)/b10-7+
InChIKeyLJWNMNMGJDGNML-JXMROGBWSA-N
MW359.47 g/mol
LogP4.31
Rot. Bonds5

About (E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 108767973) has the molecular formula C19H22FN3OS and a molecular weight of 359.47 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID108767973
Molecular FormulaC19H22FN3OS
Molecular Weight359.47 g/mol
Exact Mass359.15
IUPAC Name(E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
SMILESCC1CCCCN1Cc1cnc(NC(=O)/C=C/c2ccc(F)cc2)s1
InChIInChI=1S/C19H22FN3OS/c1-14-4-2-3-11-23(14)13-17-12-21-19(25-17)22-18(24)10-7-15-5-8-16(20)9-6-15/h5-10,12,14H,2-4,11,13H2,1H3,(H,21,22,24)/b10-7+
InChIKeyLJWNMNMGJDGNML-JXMROGBWSA-N
XLogP4.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 108767961
2,3,4-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108745642
N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 108767902
(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 2177042
2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745667
2-(2-methoxyethoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745632
N-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
CID 108783696
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108806611
2-(3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745708
4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid
CID 108783704
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 108767952
4-(1,3-dioxoisoindol-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108767940

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide (CID 108767973) is (E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is CC1CCCCN1Cc1cnc(NC(=O)/C=C/c2ccc(F)cc2)s1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is LJWNMNMGJDGNML-JXMROGBWSA-N. The full InChI is InChI=1S/C19H22FN3OS/c1-14-4-2-3-11-23(14)13-17-12-21-19(25-17)22-18(24)10-7-15-5-8-16(20)9-6-15/h5-10,12,14H,2-4,11,13H2,1H3,(H,21,22,24)/b10-7+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 359.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 108767973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).