4-[(2,3-dihydroxypropylamino)methyl]-3H-1,3-thiazol-2-one

C7H12N2O3S — CID 106380712

IUPAC4-[(2,3-dihydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(O)CO)cs1
InChIInChI=1S/C7H12N2O3S/c10-3-6(11)2-8-1-5-4-13-7(12)9-5/h4,6,8,10-11H,1-3H2,(H,9,12)
InChIKeyDQELRDKHXKLFMG-UHFFFAOYSA-N
MW204.25 g/mol
LogP-1.12
Rot. Bonds5

About 4-[(2,3-dihydroxypropylamino)methyl]-3H-1,3-thiazol-2-one

4-[(2,3-dihydroxypropylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380712) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 4-[(2,3-dihydroxypropylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2,3-dihydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380712
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name4-[(2,3-dihydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(O)CO)cs1
InChIInChI=1S/C7H12N2O3S/c10-3-6(11)2-8-1-5-4-13-7(12)9-5/h4,6,8,10-11H,1-3H2,(H,9,12)
InChIKeyDQELRDKHXKLFMG-UHFFFAOYSA-N
XLogP-1.12
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380793
N-(2,3-dihydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 66178135
4-[(2-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380675
4-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380678
4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380680
4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380692
4-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380716
4-[(3-hydroxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380729
4-[(3-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380741
4-[[(3-butoxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380748
4-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380752
4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380816

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dihydroxypropylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2,3-dihydroxypropylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380712) is 4-[(2,3-dihydroxypropylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2,3-dihydroxypropylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2,3-dihydroxypropylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC(O)CO)cs1.
What is the InChIKey of 4-[(2,3-dihydroxypropylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is DQELRDKHXKLFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c10-3-6(11)2-8-1-5-4-13-7(12)9-5/h4,6,8,10-11H,1-3H2,(H,9,12).
What are the key properties of 4-[(2,3-dihydroxypropylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(2,3-dihydroxypropylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 204.25 g/mol, XLogP of -1.12, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dihydroxypropylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).