1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propane-1,2,3-triol

C12H14N2O3S — CID 170818652

IUPAC1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propane-1,2,3-triol
SMILESNc1nc(-c2ccc(C(O)C(O)CO)cc2)cs1
InChIInChI=1S/C12H14N2O3S/c13-12-14-9(6-18-12)7-1-3-8(4-2-7)11(17)10(16)5-15/h1-4,6,10-11,15-17H,5H2,(H2,13,14)
InChIKeyBBZYCEIEEXGUBN-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.78
Rot. Bonds4

About 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propane-1,2,3-triol

1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propane-1,2,3-triol (PubChem CID 170818652) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propane-1,2,3-triol.

Molecular Properties

Compound Name1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propane-1,2,3-triol
PubChem CID170818652
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propane-1,2,3-triol
SMILESNc1nc(-c2ccc(C(O)C(O)CO)cc2)cs1
InChIInChI=1S/C12H14N2O3S/c13-12-14-9(6-18-12)7-1-3-8(4-2-7)11(17)10(16)5-15/h1-4,6,10-11,15-17H,5H2,(H2,13,14)
InChIKeyBBZYCEIEEXGUBN-UHFFFAOYSA-N
XLogP0.78
TPSA99.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858752
4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanenitrile
CID 171901779
9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 170834987
4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine
CID 3762953
4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine
CID 2756846
4-(2-amino-1,3-thiazol-4-yl)benzenesulfonic acid
CID 88812082
(1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol
CID 141239504
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
CID 18526481
4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide
CID 16773762
2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116966807
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propane-1,2,3-triol?
The IUPAC name of 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propane-1,2,3-triol (CID 170818652) is 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propane-1,2,3-triol.
What is the SMILES notation for 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propane-1,2,3-triol?
The canonical SMILES for 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propane-1,2,3-triol is Nc1nc(-c2ccc(C(O)C(O)CO)cc2)cs1.
What is the InChIKey of 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propane-1,2,3-triol?
The InChIKey is BBZYCEIEEXGUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c13-12-14-9(6-18-12)7-1-3-8(4-2-7)11(17)10(16)5-15/h1-4,6,10-11,15-17H,5H2,(H2,13,14).
What are the key properties of 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propane-1,2,3-triol?
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propane-1,2,3-triol has a molecular weight of 266.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propane-1,2,3-triol is sourced from PubChem (CID 170818652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).