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

C15H15N3O2S — CID 60801542

IUPAC3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ncc(C#CCO)s2)c1
InChIInChI=1S/C15H15N3O2S/c1-18(2)12-6-3-5-11(9-12)14(20)17-15-16-10-13(21-15)7-4-8-19/h3,5-6,9-10,19H,8H2,1-2H3,(H,16,17,20)
InChIKeyMQZMCVUCRKKCMU-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.81
Rot. Bonds3

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

3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 60801542) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
PubChem CID60801542
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ncc(C#CCO)s2)c1
InChIInChI=1S/C15H15N3O2S/c1-18(2)12-6-3-5-11(9-12)14(20)17-15-16-10-13(21-15)7-4-8-19/h3,5-6,9-10,19H,8H2,1-2H3,(H,16,17,20)
InChIKeyMQZMCVUCRKKCMU-UHFFFAOYSA-N
XLogP1.81
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.81
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

3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60800822
2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60799964
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1H-indole-5-carboxamide
CID 63747748
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 60800833
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 60801885
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 60801691
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-cyano-1,3-thiazol-2-yl)-3-methylbenzamide
CID 90603545
2,5-dibromo-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 107963837
3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide
CID 122301989
3-chloro-4-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60804564

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide (CID 60801542) is 3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide is CN(C)c1cccc(C(=O)Nc2ncc(C#CCO)s2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is MQZMCVUCRKKCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-18(2)12-6-3-5-11(9-12)14(20)17-15-16-10-13(21-15)7-4-8-19/h3,5-6,9-10,19H,8H2,1-2H3,(H,16,17,20).
What are the key properties of 3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide?
3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 301.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 60801542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).