N-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

C18H29N3O3S — CID 51964063

IUPACN-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CN(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cs1
InChIInChI=1S/C18H29N3O3S/c1-3-21(14(2)22)18-19-15(13-25-18)10-20(11-16-6-4-8-23-16)12-17-7-5-9-24-17/h13,16-17H,3-12H2,1-2H3/t16-,17-/m0/s1
InChIKeySJEFMSHWDOXRQW-IRXDYDNUSA-N
MW367.52 g/mol
LogP2.68
Rot. Bonds8

About N-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 51964063) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID51964063
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CN(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cs1
InChIInChI=1S/C18H29N3O3S/c1-3-21(14(2)22)18-19-15(13-25-18)10-20(11-16-6-4-8-23-16)12-17-7-5-9-24-17/h13,16-17H,3-12H2,1-2H3/t16-,17-/m0/s1
InChIKeySJEFMSHWDOXRQW-IRXDYDNUSA-N
XLogP2.68
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62429825
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]ethanamine
CID 124751200
N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62430173
ethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575254
3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl-ethylamino]-2-methylpropanoic acid
CID 62853684
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 51952592
N-ethyl-N-[4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 63299224
1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 94177798
N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 66214288
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62431237
N-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 75423166
4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 3189591

Frequently Asked Questions

What is the IUPAC name of N-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 51964063) is N-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(CN(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cs1.
What is the InChIKey of N-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is SJEFMSHWDOXRQW-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-3-21(14(2)22)18-19-15(13-25-18)10-20(11-16-6-4-8-23-16)12-17-7-5-9-24-17/h13,16-17H,3-12H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of N-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 367.52 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 51964063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).