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

C18H17ClN2O3S — CID 3189715

IUPAC3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(N(Cc3ccco3)C(=O)CCCl)n2)cc1
InChIInChI=1S/C18H17ClN2O3S/c1-23-14-6-4-13(5-7-14)16-12-25-18(20-16)21(17(22)8-9-19)11-15-3-2-10-24-15/h2-7,10,12H,8-9,11H2,1H3
InChIKeyFFFYZZYIVVBYJL-UHFFFAOYSA-N
MW376.87 g/mol
LogP4.57
Rot. Bonds7

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

3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 3189715) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is 3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID3189715
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC Name3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(N(Cc3ccco3)C(=O)CCCl)n2)cc1
InChIInChI=1S/C18H17ClN2O3S/c1-23-14-6-4-13(5-7-14)16-12-25-18(20-16)21(17(22)8-9-19)11-15-3-2-10-24-15/h2-7,10,12H,8-9,11H2,1H3
InChIKeyFFFYZZYIVVBYJL-UHFFFAOYSA-N
XLogP4.57
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 3189594
3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide
CID 3189701
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 1176022
N-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 1139478
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1139482
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
CID 1176076
N-(furan-2-ylmethyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1374213
N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1139470
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-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 1172644
N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1172662

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 3189715) is 3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is COc1ccc(-c2csc(N(Cc3ccco3)C(=O)CCCl)n2)cc1.
What is the InChIKey of 3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is FFFYZZYIVVBYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-23-14-6-4-13(5-7-14)16-12-25-18(20-16)21(17(22)8-9-19)11-15-3-2-10-24-15/h2-7,10,12H,8-9,11H2,1H3.
What are the key properties of 3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 376.87 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 3189715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).