N-ethyl-N-[4-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]-1,3-thiazol-2-yl]acetamide

C15H25N3O2S — CID 62520981

IUPACN-ethyl-N-[4-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNC2(CO)CCCCC2)cs1
InChIInChI=1S/C15H25N3O2S/c1-3-18(12(2)20)14-17-13(10-21-14)9-16-15(11-19)7-5-4-6-8-15/h10,16,19H,3-9,11H2,1-2H3
InChIKeyYEVSIUQPYGWONO-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.30
Rot. Bonds6

About N-ethyl-N-[4-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 62520981) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-ethyl-N-[4-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID62520981
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-ethyl-N-[4-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNC2(CO)CCCCC2)cs1
InChIInChI=1S/C15H25N3O2S/c1-3-18(12(2)20)14-17-13(10-21-14)9-16-15(11-19)7-5-4-6-8-15/h10,16,19H,3-9,11H2,1-2H3
InChIKeyYEVSIUQPYGWONO-UHFFFAOYSA-N
XLogP2.30
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 62520981) is N-ethyl-N-[4-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CNC2(CO)CCCCC2)cs1.
What is the InChIKey of N-ethyl-N-[4-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YEVSIUQPYGWONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-18(12(2)20)14-17-13(10-21-14)9-16-15(11-19)7-5-4-6-8-15/h10,16,19H,3-9,11H2,1-2H3.
What are the key properties of N-ethyl-N-[4-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 311.45 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 62520981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).