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

C12H16N2O2S — CID 54923857

IUPACN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ncc(C#CCO)s1
InChIInChI=1S/C12H16N2O2S/c1-3-5-9(2)11(16)14-12-13-8-10(17-12)6-4-7-15/h8-9,15H,3,5,7H2,1-2H3,(H,13,14,16)
InChIKeyWQTYNQVRWANDDT-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.86
Rot. Bonds4

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

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpentanamide (PubChem CID 54923857) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpentanamide
PubChem CID54923857
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ncc(C#CCO)s1
InChIInChI=1S/C12H16N2O2S/c1-3-5-9(2)11(16)14-12-13-8-10(17-12)6-4-7-15/h8-9,15H,3,5,7H2,1-2H3,(H,13,14,16)
InChIKeyWQTYNQVRWANDDT-UHFFFAOYSA-N
XLogP1.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2579380
2-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2673091
3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 897357
4-methyl-N-(5-methyl-1,3-thiazol-2-yl)pentanamide
CID 25661258
(2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide
CID 164639869
3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide
CID 54923191
3,3,3-trifluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]propanamide
CID 60803679
4,4,4-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]butanamide
CID 65713800
4,4,4-trifluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide
CID 65714603
4,4-difluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 81930533
4,4-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 81933124
3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)propanamide
CID 103310508

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpentanamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpentanamide (CID 54923857) is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpentanamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpentanamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpentanamide is CCCC(C)C(=O)Nc1ncc(C#CCO)s1.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpentanamide?
The InChIKey is WQTYNQVRWANDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-3-5-9(2)11(16)14-12-13-8-10(17-12)6-4-7-15/h8-9,15H,3,5,7H2,1-2H3,(H,13,14,16).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpentanamide?
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpentanamide has a molecular weight of 252.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpentanamide is sourced from PubChem (CID 54923857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).