2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide

C18H17ClN2O2S2 — CID 55538672

IUPAC2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H17ClN2O2S2/c1-12-7-8-24-16(12)9-21(2)18(22)15-11-25-17(20-15)10-23-14-5-3-13(19)4-6-14/h3-8,11H,9-10H2,1-2H3
InChIKeyBYASLMSGGXETCN-UHFFFAOYSA-N
MW392.93 g/mol
LogP5.02
Rot. Bonds6

About 2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 55538672) has the molecular formula C18H17ClN2O2S2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID55538672
Molecular FormulaC18H17ClN2O2S2
Molecular Weight392.93 g/mol
Exact Mass392.04
IUPAC Name2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H17ClN2O2S2/c1-12-7-8-24-16(12)9-21(2)18(22)15-11-25-17(20-15)10-23-14-5-3-13(19)4-6-14/h3-8,11H,9-10H2,1-2H3
InChIKeyBYASLMSGGXETCN-UHFFFAOYSA-N
XLogP5.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-[(4-chlorophenoxy)methyl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 56509311
2-[(4-chlorophenoxy)methyl]-N-methyl-N-(3-phenoxypropyl)-1,3-thiazole-4-carboxamide
CID 55654397
1-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 2744804
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 62787544
methyl 2-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carbonyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580661
2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46536356
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46474338
N-methyl-2-[(4-methylphenoxy)methyl]-N-[(2-nitrophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 39142612
N-ethyl-N-methyl-2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42835464
N-(2-amino-2-oxoethyl)-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 56809028
2-[[4-(4-chlorophenyl)phenoxy]methyl]-1,3-thiazole-4-carboxylic acid
CID 11427951
2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 37155823

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 55538672) is 2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1ccsc1CN(C)C(=O)c1csc(COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BYASLMSGGXETCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S2/c1-12-7-8-24-16(12)9-21(2)18(22)15-11-25-17(20-15)10-23-14-5-3-13(19)4-6-14/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 392.93 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55538672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).