2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(1H-indazol-6-yl)acetamide

C19H19N5O2S — CID 91210018

IUPAC2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(1H-indazol-6-yl)acetamide
SMILESO=C(Cc1sc(NC2CC3C=CC2C3)nc1O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C19H19N5O2S/c25-17(21-13-4-3-12-9-20-24-15(12)7-13)8-16-18(26)23-19(27-16)22-14-6-10-1-2-11(14)5-10/h1-4,7,9-11,14,26H,5-6,8H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyDYCGSMCVUUTIRK-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.28
Rot. Bonds5

About 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(1H-indazol-6-yl)acetamide

2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(1H-indazol-6-yl)acetamide (PubChem CID 91210018) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(1H-indazol-6-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(1H-indazol-6-yl)acetamide
PubChem CID91210018
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(1H-indazol-6-yl)acetamide
SMILESO=C(Cc1sc(NC2CC3C=CC2C3)nc1O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C19H19N5O2S/c25-17(21-13-4-3-12-9-20-24-15(12)7-13)8-16-18(26)23-19(27-16)22-14-6-10-1-2-11(14)5-10/h1-4,7,9-11,14,26H,5-6,8H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyDYCGSMCVUUTIRK-UHFFFAOYSA-N
XLogP3.28
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(1H-indazol-6-yl)acetamide
CID 62800301
N-(1H-indazol-6-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 84575634
2-(4-aminophenyl)-N-(1H-indazol-6-yl)acetamide
CID 43710788
2-cyclopentyl-N-(1H-indazol-6-yl)acetamide
CID 47110222
2-(3-fluorophenyl)-N-(1H-indazol-6-yl)acetamide
CID 36559456
N-(1H-indazol-6-yl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772201
N-(1H-indazol-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110675279
2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(4-bromophenyl)propanamide
CID 91199494
N-(1H-indazol-6-yl)-2-piperidin-1-ylacetamide
CID 4205198
3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide
CID 166365205
N-(1H-indazol-6-yl)-2-(2-methoxyphenyl)acetamide
CID 36559497
N-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110770216

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(1H-indazol-6-yl)acetamide?
The IUPAC name of 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(1H-indazol-6-yl)acetamide (CID 91210018) is 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(1H-indazol-6-yl)acetamide.
What is the SMILES notation for 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(1H-indazol-6-yl)acetamide?
The canonical SMILES for 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(1H-indazol-6-yl)acetamide is O=C(Cc1sc(NC2CC3C=CC2C3)nc1O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(1H-indazol-6-yl)acetamide?
The InChIKey is DYCGSMCVUUTIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c25-17(21-13-4-3-12-9-20-24-15(12)7-13)8-16-18(26)23-19(27-16)22-14-6-10-1-2-11(14)5-10/h1-4,7,9-11,14,26H,5-6,8H2,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(1H-indazol-6-yl)acetamide?
2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(1H-indazol-6-yl)acetamide has a molecular weight of 381.46 g/mol, XLogP of 3.28, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]-N-(1H-indazol-6-yl)acetamide is sourced from PubChem (CID 91210018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).