5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxamide

C13H17N3O2S — CID 143930481

IUPAC5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCC(C)(O)c1ccc(C2=NC(C(N)=O)C(N)S2)cc1
InChIInChI=1S/C13H17N3O2S/c1-13(2,18)8-5-3-7(4-6-8)12-16-9(10(14)17)11(15)19-12/h3-6,9,11,18H,15H2,1-2H3,(H2,14,17)
InChIKeyHWZRLWIUJNMFQR-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.55
Rot. Bonds3

About 5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxamide

5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 143930481) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxamide
PubChem CID143930481
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCC(C)(O)c1ccc(C2=NC(C(N)=O)C(N)S2)cc1
InChIInChI=1S/C13H17N3O2S/c1-13(2,18)8-5-3-7(4-6-8)12-16-9(10(14)17)11(15)19-12/h3-6,9,11,18H,15H2,1-2H3,(H2,14,17)
InChIKeyHWZRLWIUJNMFQR-UHFFFAOYSA-N
XLogP0.55
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxamide (CID 143930481) is 5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxamide is CC(C)(O)c1ccc(C2=NC(C(N)=O)C(N)S2)cc1.
What is the InChIKey of 5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxamide?
The InChIKey is HWZRLWIUJNMFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-13(2,18)8-5-3-7(4-6-8)12-16-9(10(14)17)11(15)19-12/h3-6,9,11,18H,15H2,1-2H3,(H2,14,17).
What are the key properties of 5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxamide?
5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 143930481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).