4-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanamide

C14H17N3O3S — CID 171900148

IUPAC4-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanamide
SMILESCc1sc(N)nc1-c1ccc(C(O)C(O)CC(N)=O)cc1
InChIInChI=1S/C14H17N3O3S/c1-7-12(17-14(16)21-7)8-2-4-9(5-3-8)13(20)10(18)6-11(15)19/h2-5,10,13,18,20H,6H2,1H3,(H2,15,19)(H2,16,17)
InChIKeyUYUDTDLYAVBQEG-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.97
Rot. Bonds5

About 4-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanamide

4-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanamide (PubChem CID 171900148) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanamide
PubChem CID171900148
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanamide
SMILESCc1sc(N)nc1-c1ccc(C(O)C(O)CC(N)=O)cc1
InChIInChI=1S/C14H17N3O3S/c1-7-12(17-14(16)21-7)8-2-4-9(5-3-8)13(20)10(18)6-11(15)19/h2-5,10,13,18,20H,6H2,1H3,(H2,15,19)(H2,16,17)
InChIKeyUYUDTDLYAVBQEG-UHFFFAOYSA-N
XLogP0.97
TPSA122.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate
CID 171867072
4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898897
4-(4-bromophenyl)-3,4-dihydroxybutanamide
CID 171900225
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
4-[4-(bromomethyl)phenyl]-3,4-dihydroxybutanamide
CID 171900239
4-(4-amino-1,2-dihydroxy-4-oxobutyl)benzoic acid
CID 171899034
4-(4-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899224
4-[4-(chloromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171898697
4-(4-amino-1,2-dihydroxy-4-oxobutyl)-N-methylbenzamide
CID 171899667
ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate
CID 28857021
3,4-dihydroxy-4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide
CID 171900007
methyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enoate
CID 169479704

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanamide?
The IUPAC name of 4-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanamide (CID 171900148) is 4-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanamide?
The canonical SMILES for 4-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanamide is Cc1sc(N)nc1-c1ccc(C(O)C(O)CC(N)=O)cc1.
What is the InChIKey of 4-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanamide?
The InChIKey is UYUDTDLYAVBQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-7-12(17-14(16)21-7)8-2-4-9(5-3-8)13(20)10(18)6-11(15)19/h2-5,10,13,18,20H,6H2,1H3,(H2,15,19)(H2,16,17).
What are the key properties of 4-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanamide?
4-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanamide has a molecular weight of 307.38 g/mol, XLogP of 0.97, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanamide is sourced from PubChem (CID 171900148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).