2-[[2-(4-chlorophenoxy)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C15H16ClN3O3S — CID 1011253

IUPAC2-[[2-(4-chlorophenoxy)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)COc2ccc(Cl)cc2)sc1C(=O)N(C)C
InChIInChI=1S/C15H16ClN3O3S/c1-9-13(14(21)19(2)3)23-15(17-9)18-12(20)8-22-11-6-4-10(16)5-7-11/h4-7H,8H2,1-3H3,(H,17,18,20)
InChIKeyANTIIBMQUNIAEW-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.82
Rot. Bonds5

About 2-[[2-(4-chlorophenoxy)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[[2-(4-chlorophenoxy)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 1011253) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID1011253
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)COc2ccc(Cl)cc2)sc1C(=O)N(C)C
InChIInChI=1S/C15H16ClN3O3S/c1-9-13(14(21)19(2)3)23-15(17-9)18-12(20)8-22-11-6-4-10(16)5-7-11/h4-7H,8H2,1-3H3,(H,17,18,20)
InChIKeyANTIIBMQUNIAEW-UHFFFAOYSA-N
XLogP2.82
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 1011253) is 2-[[2-(4-chlorophenoxy)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)COc2ccc(Cl)cc2)sc1C(=O)N(C)C.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is ANTIIBMQUNIAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c1-9-13(14(21)19(2)3)23-15(17-9)18-12(20)8-22-11-6-4-10(16)5-7-11/h4-7H,8H2,1-3H3,(H,17,18,20).
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[[2-(4-chlorophenoxy)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 353.83 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenoxy)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1011253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).