N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide

C15H14N2O2S — CID 60800833

IUPACN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc(C#CCO)s2)c(C)c1
InChIInChI=1S/C15H14N2O2S/c1-10-5-6-13(11(2)8-10)14(19)17-15-16-9-12(20-15)4-3-7-18/h5-6,8-9,18H,7H2,1-2H3,(H,16,17,19)
InChIKeyUHIVGJBSGQAMNT-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.36
Rot. Bonds2

About N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide (PubChem CID 60800833) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
PubChem CID60800833
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc(C#CCO)s2)c(C)c1
InChIInChI=1S/C15H14N2O2S/c1-10-5-6-13(11(2)8-10)14(19)17-15-16-9-12(20-15)4-3-7-18/h5-6,8-9,18H,7H2,1-2H3,(H,16,17,19)
InChIKeyUHIVGJBSGQAMNT-UHFFFAOYSA-N
XLogP2.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.36
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

2-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 60805098
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 60801885
5-chloro-2-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60801881
2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 82798665
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-fluoro-5-methylbenzamide
CID 62510665
3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide
CID 104671780
2,5-dibromo-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 107963837
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 60801691
3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60800822
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2,3-dimethylbenzamide
CID 60803347
2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60799964
3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60801542

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide (CID 60800833) is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ncc(C#CCO)s2)c(C)c1.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide?
The InChIKey is UHIVGJBSGQAMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10-5-6-13(11(2)8-10)14(19)17-15-16-9-12(20-15)4-3-7-18/h5-6,8-9,18H,7H2,1-2H3,(H,16,17,19).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide?
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide has a molecular weight of 286.36 g/mol, XLogP of 2.36, 2 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]-2,4-dimethylbenzamide is sourced from PubChem (CID 60800833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).