2-ethyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide

C15H19N3OS — CID 48574128

IUPAC2-ethyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCN(C)c2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-3-14-17-11-13(20-14)15(19)16-9-10-18(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,19)
InChIKeyUIBRHYGHDIXPFU-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.57
Rot. Bonds6

About 2-ethyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide

2-ethyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 48574128) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-ethyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID48574128
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-ethyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCN(C)c2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-3-14-17-11-13(20-14)15(19)16-9-10-18(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,19)
InChIKeyUIBRHYGHDIXPFU-UHFFFAOYSA-N
XLogP2.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide (CID 48574128) is 2-ethyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NCCN(C)c2ccccc2)s1.
What is the InChIKey of 2-ethyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UIBRHYGHDIXPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-14-17-11-13(20-14)15(19)16-9-10-18(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,19).
What are the key properties of 2-ethyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide?
2-ethyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48574128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).