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

C11H19N3O3S — CID 62014404

IUPACN-[4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOCC(O)CN(C)Cc1csc(NC(C)=O)n1
InChIInChI=1S/C11H19N3O3S/c1-8(15)12-11-13-9(7-18-11)4-14(2)5-10(16)6-17-3/h7,10,16H,4-6H2,1-3H3,(H,12,13,15)
InChIKeyYCVVYQGWPDENDV-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.54
Rot. Bonds7

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

N-[4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 62014404) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID62014404
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-[4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOCC(O)CN(C)Cc1csc(NC(C)=O)n1
InChIInChI=1S/C11H19N3O3S/c1-8(15)12-11-13-9(7-18-11)4-14(2)5-10(16)6-17-3/h7,10,16H,4-6H2,1-3H3,(H,12,13,15)
InChIKeyYCVVYQGWPDENDV-UHFFFAOYSA-N
XLogP0.54
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 62016549
1-(1-methoxypropan-2-yloxy)-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 106991963
N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 34115692
3-[(2-acetamido-1,3-thiazol-4-yl)methyl-ethylamino]butanoic acid
CID 62826038
N-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 111489947
2-acetamido-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide
CID 39900328
N-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 134001362
methyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate
CID 108726651
N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 78825720
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 47263059
1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 86827257
2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354460

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide (CID 62014404) is N-[4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide is COCC(O)CN(C)Cc1csc(NC(C)=O)n1.
What is the InChIKey of N-[4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YCVVYQGWPDENDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-8(15)12-11-13-9(7-18-11)4-14(2)5-10(16)6-17-3/h7,10,16H,4-6H2,1-3H3,(H,12,13,15).
What are the key properties of N-[4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 273.36 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 62014404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).