N-[(4-chlorophenyl)methyl]-2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-1,3-thiazole-5-carboxamide

C20H15ClN2O2S — CID 44596299

IUPACN-[(4-chlorophenyl)methyl]-2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C#Cc2ccc(O)cc2)sc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2O2S/c1-13-19(20(25)22-12-15-2-7-16(21)8-3-15)26-18(23-13)11-6-14-4-9-17(24)10-5-14/h2-5,7-10,24H,12H2,1H3,(H,22,25)
InChIKeyDZRQFDIXTIXHPS-UHFFFAOYSA-N
MW382.87 g/mol
LogP4.14
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[(4-chlorophenyl)methyl]-2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 44596299) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID44596299
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C#Cc2ccc(O)cc2)sc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2O2S/c1-13-19(20(25)22-12-15-2-7-16(21)8-3-15)26-18(23-13)11-6-14-4-9-17(24)10-5-14/h2-5,7-10,24H,12H2,1H3,(H,22,25)
InChIKeyDZRQFDIXTIXHPS-UHFFFAOYSA-N
XLogP4.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-chlorophenyl)methyl]-2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374810
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936066
N-[2-(4-fluorophenoxy)ethyl]-2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 44611178
2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24948936
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084095
N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138190
N-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 53365283
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897032
N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 59369678
2-[(4-chlorophenyl)carbamoylamino]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897590
2-(4-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16602270
2-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24512542

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 44596299) is N-[(4-chlorophenyl)methyl]-2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(C#Cc2ccc(O)cc2)sc1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DZRQFDIXTIXHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c1-13-19(20(25)22-12-15-2-7-16(21)8-3-15)26-18(23-13)11-6-14-4-9-17(24)10-5-14/h2-5,7-10,24H,12H2,1H3,(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(4-chlorophenyl)methyl]-2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 382.87 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 44596299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).