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

C15H25N3O2S — CID 102636268

IUPACN-ethyl-N-[4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CN(C)C2CCCCC2O)cs1
InChIInChI=1S/C15H25N3O2S/c1-4-18(11(2)19)15-16-12(10-21-15)9-17(3)13-7-5-6-8-14(13)20/h10,13-14,20H,4-9H2,1-3H3
InChIKeyBIZSXQALDJLNHQ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.25
Rot. Bonds5

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

N-ethyl-N-[4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 102636268) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-ethyl-N-[4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID102636268
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-ethyl-N-[4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CN(C)C2CCCCC2O)cs1
InChIInChI=1S/C15H25N3O2S/c1-4-18(11(2)19)15-16-12(10-21-15)9-17(3)13-7-5-6-8-14(13)20/h10,13-14,20H,4-9H2,1-3H3
InChIKeyBIZSXQALDJLNHQ-UHFFFAOYSA-N
XLogP2.25
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide (CID 102636268) is N-ethyl-N-[4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CN(C)C2CCCCC2O)cs1.
What is the InChIKey of N-ethyl-N-[4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BIZSXQALDJLNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-18(11(2)19)15-16-12(10-21-15)9-17(3)13-7-5-6-8-14(13)20/h10,13-14,20H,4-9H2,1-3H3.
What are the key properties of N-ethyl-N-[4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 311.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 102636268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).