2-(4-methylanilino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide

C16H19N3O2S — CID 3160506

IUPAC2-(4-methylanilino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)NCC3CCCO3)cs2)cc1
InChIInChI=1S/C16H19N3O2S/c1-11-4-6-12(7-5-11)18-16-19-14(10-22-16)15(20)17-9-13-3-2-8-21-13/h4-7,10,13H,2-3,8-9H2,1H3,(H,17,20)(H,18,19)
InChIKeySSSQCUFTXOHJPI-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.10
Rot. Bonds5

About 2-(4-methylanilino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-(4-methylanilino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 3160506) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(4-methylanilino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylanilino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID3160506
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-(4-methylanilino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)NCC3CCCO3)cs2)cc1
InChIInChI=1S/C16H19N3O2S/c1-11-4-6-12(7-5-11)18-16-19-14(10-22-16)15(20)17-9-13-3-2-8-21-13/h4-7,10,13H,2-3,8-9H2,1H3,(H,17,20)(H,18,19)
InChIKeySSSQCUFTXOHJPI-UHFFFAOYSA-N
XLogP3.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methylanilino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 3160506) is 2-(4-methylanilino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methylanilino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methylanilino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide is Cc1ccc(Nc2nc(C(=O)NCC3CCCO3)cs2)cc1.
What is the InChIKey of 2-(4-methylanilino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SSSQCUFTXOHJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-4-6-12(7-5-11)18-16-19-14(10-22-16)15(20)17-9-13-3-2-8-21-13/h4-7,10,13H,2-3,8-9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-(4-methylanilino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(4-methylanilino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3160506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).