N-[4-(1H-indazol-5-yl)phenyl]-3-sulfanylpropanamide

C16H15N3OS — CID 172640352

IUPACN-[4-(1H-indazol-5-yl)phenyl]-3-sulfanylpropanamide
SMILESO=C(CCS)Nc1ccc(-c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C16H15N3OS/c20-16(7-8-21)18-14-4-1-11(2-5-14)12-3-6-15-13(9-12)10-17-19-15/h1-6,9-10,21H,7-8H2,(H,17,19)(H,18,20)
InChIKeyZZGDMQGXRAEYOD-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.49
Rot. Bonds4

About N-[4-(1H-indazol-5-yl)phenyl]-3-sulfanylpropanamide

N-[4-(1H-indazol-5-yl)phenyl]-3-sulfanylpropanamide (PubChem CID 172640352) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[4-(1H-indazol-5-yl)phenyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(1H-indazol-5-yl)phenyl]-3-sulfanylpropanamide
PubChem CID172640352
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-[4-(1H-indazol-5-yl)phenyl]-3-sulfanylpropanamide
SMILESO=C(CCS)Nc1ccc(-c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C16H15N3OS/c20-16(7-8-21)18-14-4-1-11(2-5-14)12-3-6-15-13(9-12)10-17-19-15/h1-6,9-10,21H,7-8H2,(H,17,19)(H,18,20)
InChIKeyZZGDMQGXRAEYOD-UHFFFAOYSA-N
XLogP3.49
TPSA57.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(1H-indazol-5-yl)propanamide
CID 17164503
4-hydroxy-N-(1H-indazol-5-yl)butanamide
CID 79200157
N-(1H-indazol-5-yl)-4,4-dimethylpentanamide
CID 155236090
N-[3-(1H-indazol-5-yl)phenyl]acetamide
CID 56712448
3-(cyclopropylamino)-N-(1H-indazol-5-yl)propanamide
CID 60866208
2-(4-hydroxyphenyl)-N-(1H-indazol-5-yl)acetamide
CID 23570801
N-(1H-indazol-5-yl)-3-thiophen-2-ylpropanamide
CID 134050773
N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 134037553
(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide
CID 25178128
4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide
CID 18447148
2-(4-aminotriazol-2-yl)-N-(1H-indazol-5-yl)acetamide
CID 112527257
2-(1-aminocyclobutyl)-N-(1H-indazol-5-yl)acetamide
CID 79851440

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indazol-5-yl)phenyl]-3-sulfanylpropanamide?
The IUPAC name of N-[4-(1H-indazol-5-yl)phenyl]-3-sulfanylpropanamide (CID 172640352) is N-[4-(1H-indazol-5-yl)phenyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[4-(1H-indazol-5-yl)phenyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[4-(1H-indazol-5-yl)phenyl]-3-sulfanylpropanamide is O=C(CCS)Nc1ccc(-c2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of N-[4-(1H-indazol-5-yl)phenyl]-3-sulfanylpropanamide?
The InChIKey is ZZGDMQGXRAEYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c20-16(7-8-21)18-14-4-1-11(2-5-14)12-3-6-15-13(9-12)10-17-19-15/h1-6,9-10,21H,7-8H2,(H,17,19)(H,18,20).
What are the key properties of N-[4-(1H-indazol-5-yl)phenyl]-3-sulfanylpropanamide?
N-[4-(1H-indazol-5-yl)phenyl]-3-sulfanylpropanamide has a molecular weight of 297.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indazol-5-yl)phenyl]-3-sulfanylpropanamide is sourced from PubChem (CID 172640352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).