N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

C11H19N3O3S — CID 66177601

IUPACN-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CNCC(O)CO)cs1
InChIInChI=1S/C11H19N3O3S/c1-3-14(8(2)16)11-13-9(7-18-11)4-12-5-10(17)6-15/h7,10,12,15,17H,3-6H2,1-2H3
InChIKeyIFZJRVRZFPACBP-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.04
Rot. Bonds7

About N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 66177601) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID66177601
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CNCC(O)CO)cs1
InChIInChI=1S/C11H19N3O3S/c1-3-14(8(2)16)11-13-9(7-18-11)4-12-5-10(17)6-15/h7,10,12,15,17H,3-6H2,1-2H3
InChIKeyIFZJRVRZFPACBP-UHFFFAOYSA-N
XLogP-0.04
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 64569654
N-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115587349
N-ethyl-N-[4-[[(1-methylpyrazol-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 82882559
N-ethyl-N-[4-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115358791
3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide
CID 103824393
N-ethyl-N-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 106126088
N-ethyl-N-[4-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 106393105
N-ethyl-N-[4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115699387
N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 43226283
N-ethyl-N-[4-[[(2-hydroxycyclohexyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 64928081
N-ethyl-N-[4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 103275565
N-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 43742880

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 66177601) is N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(CNCC(O)CO)cs1.
What is the InChIKey of N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is IFZJRVRZFPACBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-14(8(2)16)11-13-9(7-18-11)4-12-5-10(17)6-15/h7,10,12,15,17H,3-6H2,1-2H3.
What are the key properties of N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 273.36 g/mol, XLogP of -0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 66177601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).