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

C16H18ClN3O3S — CID 4526952

IUPAC2-[2-(3-chlorophenoxy)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C(C)Oc2cccc(Cl)c2)sc1C(=O)N(C)C
InChIInChI=1S/C16H18ClN3O3S/c1-9-13(15(22)20(3)4)24-16(18-9)19-14(21)10(2)23-12-7-5-6-11(17)8-12/h5-8,10H,1-4H3,(H,18,19,21)
InChIKeyWAJQQGPROCHKNA-UHFFFAOYSA-N
MW367.86 g/mol
LogP3.21
Rot. Bonds5

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

2-[2-(3-chlorophenoxy)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 4526952) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 2-[2-(3-chlorophenoxy)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenoxy)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID4526952
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name2-[2-(3-chlorophenoxy)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C(C)Oc2cccc(Cl)c2)sc1C(=O)N(C)C
InChIInChI=1S/C16H18ClN3O3S/c1-9-13(15(22)20(3)4)24-16(18-9)19-14(21)10(2)23-12-7-5-6-11(17)8-12/h5-8,10H,1-4H3,(H,18,19,21)
InChIKeyWAJQQGPROCHKNA-UHFFFAOYSA-N
XLogP3.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenoxy)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(3-chlorophenoxy)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 4526952) is 2-[2-(3-chlorophenoxy)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(3-chlorophenoxy)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(3-chlorophenoxy)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)C(C)Oc2cccc(Cl)c2)sc1C(=O)N(C)C.
What is the InChIKey of 2-[2-(3-chlorophenoxy)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is WAJQQGPROCHKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-9-13(15(22)20(3)4)24-16(18-9)19-14(21)10(2)23-12-7-5-6-11(17)8-12/h5-8,10H,1-4H3,(H,18,19,21).
What are the key properties of 2-[2-(3-chlorophenoxy)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[2-(3-chlorophenoxy)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 367.86 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenoxy)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 4526952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).