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

C16H14ClN3O2S2 — CID 37155823

IUPAC2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1csc(CNC(=O)c2csc(COc3ccc(Cl)cc3)n2)n1
InChIInChI=1S/C16H14ClN3O2S2/c1-10-8-23-14(19-10)6-18-16(21)13-9-24-15(20-13)7-22-12-4-2-11(17)3-5-12/h2-5,8-9H,6-7H2,1H3,(H,18,21)
InChIKeyCZOVUYOVGLIFIE-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.07
Rot. Bonds6

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

2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 37155823) has the molecular formula C16H14ClN3O2S2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID37155823
Molecular FormulaC16H14ClN3O2S2
Molecular Weight379.89 g/mol
Exact Mass379.02
IUPAC Name2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1csc(CNC(=O)c2csc(COc3ccc(Cl)cc3)n2)n1
InChIInChI=1S/C16H14ClN3O2S2/c1-10-8-23-14(19-10)6-18-16(21)13-9-24-15(20-13)7-22-12-4-2-11(17)3-5-12/h2-5,8-9H,6-7H2,1H3,(H,18,21)
InChIKeyCZOVUYOVGLIFIE-UHFFFAOYSA-N
XLogP4.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 2744804
N-[(2S)-butan-2-yl]-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158607
2-[(4-chlorophenoxy)methyl]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 56576240
N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094285
methyl 2-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carbonyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580661
N-[(2,6-difluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094385
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51315954
2-[(4-chlorophenoxy)methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 39897975
N-[2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42879965
2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 51315956
2-[[4-(4-chlorophenyl)phenoxy]methyl]-1,3-thiazole-4-carboxylic acid
CID 11427951
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-propylbenzamide
CID 121094272

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 37155823) is 2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1csc(CNC(=O)c2csc(COc3ccc(Cl)cc3)n2)n1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CZOVUYOVGLIFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S2/c1-10-8-23-14(19-10)6-18-16(21)13-9-24-15(20-13)7-22-12-4-2-11(17)3-5-12/h2-5,8-9H,6-7H2,1H3,(H,18,21).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 37155823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).