N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-2-carboxamide

C12H14N2O3S — CID 62213558

IUPACN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-2-carboxamide
SMILESO=C(Nc1ncc(C#CCO)s1)C1CCCCO1
InChIInChI=1S/C12H14N2O3S/c15-6-3-4-9-8-13-12(18-9)14-11(16)10-5-1-2-7-17-10/h8,10,15H,1-2,5-7H2,(H,13,14,16)
InChIKeyZACLWRKLKIPEKA-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.99
Rot. Bonds2

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

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-2-carboxamide (PubChem CID 62213558) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-2-carboxamide
PubChem CID62213558
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-2-carboxamide
SMILESO=C(Nc1ncc(C#CCO)s1)C1CCCCO1
InChIInChI=1S/C12H14N2O3S/c15-6-3-4-9-8-13-12(18-9)14-11(16)10-5-1-2-7-17-10/h8,10,15H,1-2,5-7H2,(H,13,14,16)
InChIKeyZACLWRKLKIPEKA-UHFFFAOYSA-N
XLogP0.99
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 60802655
3-cyclohexyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide
CID 60801873
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
CID 105361479
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60802028
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65160497
N-(5-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2971267
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 60804255
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 61277085
N-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2948518
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603612
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 60800501
(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 675301

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-2-carboxamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-2-carboxamide (CID 62213558) is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-2-carboxamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-2-carboxamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-2-carboxamide is O=C(Nc1ncc(C#CCO)s1)C1CCCCO1.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-2-carboxamide?
The InChIKey is ZACLWRKLKIPEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c15-6-3-4-9-8-13-12(18-9)14-11(16)10-5-1-2-7-17-10/h8,10,15H,1-2,5-7H2,(H,13,14,16).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-2-carboxamide?
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-2-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-2-carboxamide is sourced from PubChem (CID 62213558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).