N-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide

C16H16N4O2S — CID 51087932

IUPACN-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(Cc1ccco1)C(=O)Cc1csc(-c2ncccn2)n1
InChIInChI=1S/C16H16N4O2S/c1-2-20(10-13-5-3-8-22-13)14(21)9-12-11-23-16(19-12)15-17-6-4-7-18-15/h3-8,11H,2,9-10H2,1H3
InChIKeyBXIRPQHPUOTYAT-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.78
Rot. Bonds6

About N-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide

N-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 51087932) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID51087932
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(Cc1ccco1)C(=O)Cc1csc(-c2ncccn2)n1
InChIInChI=1S/C16H16N4O2S/c1-2-20(10-13-5-3-8-22-13)14(21)9-12-11-23-16(19-12)15-17-6-4-7-18-15/h3-8,11H,2,9-10H2,1H3
InChIKeyBXIRPQHPUOTYAT-UHFFFAOYSA-N
XLogP2.78
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide (CID 51087932) is N-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide is CCN(Cc1ccco1)C(=O)Cc1csc(-c2ncccn2)n1.
What is the InChIKey of N-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is BXIRPQHPUOTYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-2-20(10-13-5-3-8-22-13)14(21)9-12-11-23-16(19-12)15-17-6-4-7-18-15/h3-8,11H,2,9-10H2,1H3.
What are the key properties of N-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide?
N-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 328.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 51087932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).