N-[4-(4-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide

C17H14ClN3O3S — CID 155539037

IUPACN-[4-(4-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccc(Cl)cc2O)cs1
InChIInChI=1S/C17H14ClN3O3S/c1-3-16(23)21(8-12-6-10(2)20-24-12)17-19-14(9-25-17)13-5-4-11(18)7-15(13)22/h3-7,9,22H,1,8H2,2H3
InChIKeyRSDSIEXDLFJVJM-UHFFFAOYSA-N
MW375.84 g/mol
LogP4.18
Rot. Bonds5

About N-[4-(4-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide

N-[4-(4-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide (PubChem CID 155539037) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is N-[4-(4-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide
PubChem CID155539037
Molecular FormulaC17H14ClN3O3S
Molecular Weight375.84 g/mol
Exact Mass375.04
IUPAC NameN-[4-(4-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccc(Cl)cc2O)cs1
InChIInChI=1S/C17H14ClN3O3S/c1-3-16(23)21(8-12-6-10(2)20-24-12)17-19-14(9-25-17)13-5-4-11(18)7-15(13)22/h3-7,9,22H,1,8H2,2H3
InChIKeyRSDSIEXDLFJVJM-UHFFFAOYSA-N
XLogP4.18
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide?
The IUPAC name of N-[4-(4-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide (CID 155539037) is N-[4-(4-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[4-(4-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[4-(4-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide is C=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccc(Cl)cc2O)cs1.
What is the InChIKey of N-[4-(4-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide?
The InChIKey is RSDSIEXDLFJVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c1-3-16(23)21(8-12-6-10(2)20-24-12)17-19-14(9-25-17)13-5-4-11(18)7-15(13)22/h3-7,9,22H,1,8H2,2H3.
What are the key properties of N-[4-(4-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide?
N-[4-(4-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide has a molecular weight of 375.84 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide is sourced from PubChem (CID 155539037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).