N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-imidazol-1-ylpropanamide

C12H12N4O2S — CID 60801687

IUPACN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)Nc1ncc(C#CCO)s1
InChIInChI=1S/C12H12N4O2S/c17-7-1-2-10-8-14-12(19-10)15-11(18)3-5-16-6-4-13-9-16/h4,6,8-9,17H,3,5,7H2,(H,14,15,18)
InChIKeyLRRJPRZOWYEAEB-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.71
Rot. Bonds4

About N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-imidazol-1-ylpropanamide

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-imidazol-1-ylpropanamide (PubChem CID 60801687) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-imidazol-1-ylpropanamide
PubChem CID60801687
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)Nc1ncc(C#CCO)s1
InChIInChI=1S/C12H12N4O2S/c17-7-1-2-10-8-14-12(19-10)15-11(18)3-5-16-6-4-13-9-16/h4,6,8-9,17H,3,5,7H2,(H,14,15,18)
InChIKeyLRRJPRZOWYEAEB-UHFFFAOYSA-N
XLogP0.71
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-imidazol-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-imidazol-1-ylpropanamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-imidazol-1-ylpropanamide (CID 60801687) is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-imidazol-1-ylpropanamide is O=C(CCn1ccnc1)Nc1ncc(C#CCO)s1.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-imidazol-1-ylpropanamide?
The InChIKey is LRRJPRZOWYEAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c17-7-1-2-10-8-14-12(19-10)15-11(18)3-5-16-6-4-13-9-16/h4,6,8-9,17H,3,5,7H2,(H,14,15,18).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-imidazol-1-ylpropanamide?
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-imidazol-1-ylpropanamide has a molecular weight of 276.32 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 60801687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).