N-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide

C12H15N3OS2 — CID 66385180

IUPACN-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCc1cnc(C)s1
InChIInChI=1S/C12H15N3OS2/c1-8(16)15-11-3-4-17-12(11)7-13-5-10-6-14-9(2)18-10/h3-4,6,13H,5,7H2,1-2H3,(H,15,16)
InChIKeyVHHNJQPWUYXBTC-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.76
Rot. Bonds5

About N-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide

N-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide (PubChem CID 66385180) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is N-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide
PubChem CID66385180
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC NameN-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCc1cnc(C)s1
InChIInChI=1S/C12H15N3OS2/c1-8(16)15-11-3-4-17-12(11)7-13-5-10-6-14-9(2)18-10/h3-4,6,13H,5,7H2,1-2H3,(H,15,16)
InChIKeyVHHNJQPWUYXBTC-UHFFFAOYSA-N
XLogP2.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide (CID 66385180) is N-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNCc1cnc(C)s1.
What is the InChIKey of N-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide?
The InChIKey is VHHNJQPWUYXBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-8(16)15-11-3-4-17-12(11)7-13-5-10-6-14-9(2)18-10/h3-4,6,13H,5,7H2,1-2H3,(H,15,16).
What are the key properties of N-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide?
N-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide has a molecular weight of 281.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66385180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).