N-cyclopropyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-4-carboxamide

C16H19N3O4S — CID 117082719

IUPACN-cyclopropyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(Nc2nc(C(=O)NC3CC3)cs2)cc(OC)c1OC
InChIInChI=1S/C16H19N3O4S/c1-21-12-6-10(7-13(22-2)14(12)23-3)18-16-19-11(8-24-16)15(20)17-9-4-5-9/h6-9H,4-5H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyQAZKLDANHJMKJA-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.80
Rot. Bonds7

About N-cyclopropyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-4-carboxamide

N-cyclopropyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 117082719) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-4-carboxamide
PubChem CID117082719
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-cyclopropyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(Nc2nc(C(=O)NC3CC3)cs2)cc(OC)c1OC
InChIInChI=1S/C16H19N3O4S/c1-21-12-6-10(7-13(22-2)14(12)23-3)18-16-19-11(8-24-16)15(20)17-9-4-5-9/h6-9H,4-5H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyQAZKLDANHJMKJA-UHFFFAOYSA-N
XLogP2.80
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-4-carboxamide (CID 117082719) is N-cyclopropyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-4-carboxamide is COc1cc(Nc2nc(C(=O)NC3CC3)cs2)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is QAZKLDANHJMKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-21-12-6-10(7-13(22-2)14(12)23-3)18-16-19-11(8-24-16)15(20)17-9-4-5-9/h6-9H,4-5H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-cyclopropyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-4-carboxamide?
N-cyclopropyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117082719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).