N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)propanamide

C11H11N5O2S — CID 54923762

IUPACN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)Nc1ncc(C#CCO)s1
InChIInChI=1S/C11H11N5O2S/c17-7-1-2-9-8-12-11(19-9)14-10(18)3-5-16-6-4-13-15-16/h4,6,8,17H,3,5,7H2,(H,12,14,18)
InChIKeyCKACPMHZOVEWNA-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.11
Rot. Bonds4

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

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)propanamide (PubChem CID 54923762) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)propanamide
PubChem CID54923762
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)Nc1ncc(C#CCO)s1
InChIInChI=1S/C11H11N5O2S/c17-7-1-2-9-8-12-11(19-9)14-10(18)3-5-16-6-4-13-15-16/h4,6,8,17H,3,5,7H2,(H,12,14,18)
InChIKeyCKACPMHZOVEWNA-UHFFFAOYSA-N
XLogP0.11
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)propanamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)propanamide (CID 54923762) is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)Nc1ncc(C#CCO)s1.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)propanamide?
The InChIKey is CKACPMHZOVEWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c17-7-1-2-9-8-12-11(19-9)14-10(18)3-5-16-6-4-13-15-16/h4,6,8,17H,3,5,7H2,(H,12,14,18).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)propanamide?
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)propanamide has a molecular weight of 277.31 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 54923762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).