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

C15H11N3O2S — CID 63747748

IUPACN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1H-indole-5-carboxamide
SMILESO=C(Nc1ncc(C#CCO)s1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H11N3O2S/c19-7-1-2-12-9-17-15(21-12)18-14(20)11-3-4-13-10(8-11)5-6-16-13/h3-6,8-9,16,19H,7H2,(H,17,18,20)
InChIKeyGHHZSVJFHGKEHX-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.22
Rot. Bonds2

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

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1H-indole-5-carboxamide (PubChem CID 63747748) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1H-indole-5-carboxamide
PubChem CID63747748
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1H-indole-5-carboxamide
SMILESO=C(Nc1ncc(C#CCO)s1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H11N3O2S/c19-7-1-2-12-9-17-15(21-12)18-14(20)11-3-4-13-10(8-11)5-6-16-13/h3-6,8-9,16,19H,7H2,(H,17,18,20)
InChIKeyGHHZSVJFHGKEHX-UHFFFAOYSA-N
XLogP2.22
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60801542
N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-6-carboxamide
CID 63749143
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 60800833
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]benzamide
CID 60799964
2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 82798665
3-chloro-4-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60804564
2,5-dibromo-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 107963837
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 60802701
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 60801691
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-5-carboxamide
CID 22971268

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1H-indole-5-carboxamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1H-indole-5-carboxamide (CID 63747748) is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1H-indole-5-carboxamide is O=C(Nc1ncc(C#CCO)s1)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1H-indole-5-carboxamide?
The InChIKey is GHHZSVJFHGKEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c19-7-1-2-12-9-17-15(21-12)18-14(20)11-3-4-13-10(8-11)5-6-16-13/h3-6,8-9,16,19H,7H2,(H,17,18,20).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1H-indole-5-carboxamide?
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1H-indole-5-carboxamide has a molecular weight of 297.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 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]-1H-indole-5-carboxamide is sourced from PubChem (CID 63747748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).