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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Related Compounds

N-ethyl-N-[4-[[(2-hydroxycyclohexyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 64928081
N-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 51964063
N-[4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 106672998
N-ethyl-N-[4-[[2-hydroxypropyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 62333948
N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43556565
N-ethyl-N-[4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 63299224
N-ethyl-N-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 106126088
trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol
CID 102734625
N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 66214288
N-ethyl-N-[4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 114629063
N-methyl-2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 71988459
4-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 55005181

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).