N-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide

C13H21N3OS — CID 115587349

IUPACN-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNCC2CC2C)cs1
InChIInChI=1S/C13H21N3OS/c1-4-16(10(3)17)13-15-12(8-18-13)7-14-6-11-5-9(11)2/h8-9,11,14H,4-7H2,1-3H3
InChIKeyICVOWAZXFOLLEU-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.26
Rot. Bonds6

About N-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 115587349) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID115587349
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNCC2CC2C)cs1
InChIInChI=1S/C13H21N3OS/c1-4-16(10(3)17)13-15-12(8-18-13)7-14-6-11-5-9(11)2/h8-9,11,14H,4-7H2,1-3H3
InChIKeyICVOWAZXFOLLEU-UHFFFAOYSA-N
XLogP2.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide (CID 115587349) is N-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CNCC2CC2C)cs1.
What is the InChIKey of N-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ICVOWAZXFOLLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-16(10(3)17)13-15-12(8-18-13)7-14-6-11-5-9(11)2/h8-9,11,14H,4-7H2,1-3H3.
What are the key properties of N-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 267.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 115587349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).