3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-indazol-3-yl)propanamide

C12H14N4O2S — CID 60735680

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-indazol-3-yl)propanamide
SMILESNC(=O)CSCCC(=O)Nc1n[nH]c2ccccc12
InChIInChI=1S/C12H14N4O2S/c13-10(17)7-19-6-5-11(18)14-12-8-3-1-2-4-9(8)15-16-12/h1-4H,5-7H2,(H2,13,17)(H2,14,15,16,18)
InChIKeyRXLJEPXZBSCBHC-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.11
Rot. Bonds6

About 3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-indazol-3-yl)propanamide

3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-indazol-3-yl)propanamide (PubChem CID 60735680) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-indazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-indazol-3-yl)propanamide
PubChem CID60735680
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-indazol-3-yl)propanamide
SMILESNC(=O)CSCCC(=O)Nc1n[nH]c2ccccc12
InChIInChI=1S/C12H14N4O2S/c13-10(17)7-19-6-5-11(18)14-12-8-3-1-2-4-9(8)15-16-12/h1-4H,5-7H2,(H2,13,17)(H2,14,15,16,18)
InChIKeyRXLJEPXZBSCBHC-UHFFFAOYSA-N
XLogP1.11
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indazol-3-yl)-3-methylsulfanylpropanamide
CID 60735515
2-amino-N-(1H-indazol-3-yl)acetamide;hydrochloride
CID 130729532
2-tert-butylsulfanyl-N-(1H-indazol-3-yl)acetamide
CID 60735552
ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate
CID 110474185
2-cyclopentyl-N-(1H-indazol-3-yl)acetamide
CID 55023308
4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid
CID 154781594
2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-3-yl)acetamide
CID 60735352
N-(1H-indazol-3-yl)-3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 167992530
N-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112527931
1-ethyl-3-(1H-indazol-3-yl)urea
CID 62687117
2-(3-ethoxycyclobutyl)-N-(1H-indazol-3-yl)acetamide
CID 103164819
2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide
CID 155530819

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-indazol-3-yl)propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-indazol-3-yl)propanamide (CID 60735680) is 3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-indazol-3-yl)propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-indazol-3-yl)propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-indazol-3-yl)propanamide is NC(=O)CSCCC(=O)Nc1n[nH]c2ccccc12.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-indazol-3-yl)propanamide?
The InChIKey is RXLJEPXZBSCBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c13-10(17)7-19-6-5-11(18)14-12-8-3-1-2-4-9(8)15-16-12/h1-4H,5-7H2,(H2,13,17)(H2,14,15,16,18).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-indazol-3-yl)propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-indazol-3-yl)propanamide has a molecular weight of 278.34 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-indazol-3-yl)propanamide is sourced from PubChem (CID 60735680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).