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

C15H27N3O2S — CID 62015492

IUPACN-ethyl-N-[4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCC(CC)N(CCO)Cc1csc(N(CC)C(C)=O)n1
InChIInChI=1S/C15H27N3O2S/c1-5-14(6-2)17(8-9-19)10-13-11-21-15(16-13)18(7-3)12(4)20/h11,14,19H,5-10H2,1-4H3
InChIKeySHGLJZJZCKYRAO-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.50
Rot. Bonds9

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

N-ethyl-N-[4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 62015492) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-ethyl-N-[4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID62015492
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-ethyl-N-[4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCC(CC)N(CCO)Cc1csc(N(CC)C(C)=O)n1
InChIInChI=1S/C15H27N3O2S/c1-5-14(6-2)17(8-9-19)10-13-11-21-15(16-13)18(7-3)12(4)20/h11,14,19H,5-10H2,1-4H3
InChIKeySHGLJZJZCKYRAO-UHFFFAOYSA-N
XLogP2.50
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]propanoic acid
CID 60833300
N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115631792
4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63584999
N-ethyl-N-[4-[[2-hydroxypropyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 62333948
3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl-ethylamino]-2-methylpropanoic acid
CID 62853684
N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 66177601
N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 66214288
2-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol
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N-ethyl-N-[4-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 62399460
N-ethyl-N-[4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 102636268
N-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 43742880
N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 62015492) is N-ethyl-N-[4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide is CCC(CC)N(CCO)Cc1csc(N(CC)C(C)=O)n1.
What is the InChIKey of N-ethyl-N-[4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is SHGLJZJZCKYRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-5-14(6-2)17(8-9-19)10-13-11-21-15(16-13)18(7-3)12(4)20/h11,14,19H,5-10H2,1-4H3.
What are the key properties of N-ethyl-N-[4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 313.47 g/mol, XLogP of 2.50, 9 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-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 62015492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).