N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide

C16H21N3O2S — CID 47939210

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)NCCN(C)C3CC3)s2)o1
InChIInChI=1S/C16H21N3O2S/c1-10-4-7-13(21-10)16-18-11(2)14(22-16)15(20)17-8-9-19(3)12-5-6-12/h4,7,12H,5-6,8-9H2,1-3H3,(H,17,20)
InChIKeyGFXCYZLLTWDCDF-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.84
Rot. Bonds6

About N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 47939210) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID47939210
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)NCCN(C)C3CC3)s2)o1
InChIInChI=1S/C16H21N3O2S/c1-10-4-7-13(21-10)16-18-11(2)14(22-16)15(20)17-8-9-19(3)12-5-6-12/h4,7,12H,5-6,8-9H2,1-3H3,(H,17,20)
InChIKeyGFXCYZLLTWDCDF-UHFFFAOYSA-N
XLogP2.84
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (CID 47939210) is N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)NCCN(C)C3CC3)s2)o1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is GFXCYZLLTWDCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-10-4-7-13(21-10)16-18-11(2)14(22-16)15(20)17-8-9-19(3)12-5-6-12/h4,7,12H,5-6,8-9H2,1-3H3,(H,17,20).
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47939210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).