3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide

C18H17ClN2O2S — CID 3189594

IUPAC3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2csc(N(Cc3ccco3)C(=O)CCCl)n2)cc1
InChIInChI=1S/C18H17ClN2O2S/c1-13-4-6-14(7-5-13)16-12-24-18(20-16)21(17(22)8-9-19)11-15-3-2-10-23-15/h2-7,10,12H,8-9,11H2,1H3
InChIKeyRMJWMZAZBWYZLO-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.87
Rot. Bonds6

About 3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide

3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 3189594) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is 3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID3189594
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2csc(N(Cc3ccco3)C(=O)CCCl)n2)cc1
InChIInChI=1S/C18H17ClN2O2S/c1-13-4-6-14(7-5-13)16-12-24-18(20-16)21(17(22)8-9-19)11-15-3-2-10-23-15/h2-7,10,12H,8-9,11H2,1H3
InChIKeyRMJWMZAZBWYZLO-UHFFFAOYSA-N
XLogP4.87
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 3189715
3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide
CID 3189701
N-(furan-2-ylmethyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1374213
N-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 1139478
N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1139470
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 1176022
N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 1139483
4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide
CID 1176073
N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
CID 60528113
5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 6486849
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
CID 1176076
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1139482

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide (CID 3189594) is 3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide is Cc1ccc(-c2csc(N(Cc3ccco3)C(=O)CCCl)n2)cc1.
What is the InChIKey of 3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is RMJWMZAZBWYZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-13-4-6-14(7-5-13)16-12-24-18(20-16)21(17(22)8-9-19)11-15-3-2-10-23-15/h2-7,10,12H,8-9,11H2,1H3.
What are the key properties of 3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 360.87 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 3189594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).