N,N-diethyl-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide

C15H19N3O2S — CID 1096808

IUPACN,N-diethyl-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C15H19N3O2S/c1-4-18(5-2)14(19)13-10-21-15(17-13)16-11-6-8-12(20-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,16,17)
InChIKeyJPUSJRHUSPIQIT-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.38
Rot. Bonds6

About N,N-diethyl-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide

N,N-diethyl-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 1096808) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
PubChem CID1096808
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN,N-diethyl-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C15H19N3O2S/c1-4-18(5-2)14(19)13-10-21-15(17-13)16-11-6-8-12(20-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,16,17)
InChIKeyJPUSJRHUSPIQIT-UHFFFAOYSA-N
XLogP3.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N,N-diethyl-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide (CID 1096808) is N,N-diethyl-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide is CCN(CC)C(=O)c1csc(Nc2ccc(OC)cc2)n1.
What is the InChIKey of N,N-diethyl-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is JPUSJRHUSPIQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-18(5-2)14(19)13-10-21-15(17-13)16-11-6-8-12(20-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,16,17).
What are the key properties of N,N-diethyl-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
N,N-diethyl-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1096808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).