N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide

C15H14N4O3S — CID 5171439

IUPACN-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide
SMILESO=C(NC(CO)C(=O)Nc1nccs1)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H14N4O3S/c20-8-12(14(22)19-15-16-5-6-23-15)18-13(21)11-7-9-3-1-2-4-10(9)17-11/h1-7,12,17,20H,8H2,(H,18,21)(H,16,19,22)
InChIKeyHACBMQXHJZNYKQ-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.35
Rot. Bonds5

About N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide

N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide (PubChem CID 5171439) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide
PubChem CID5171439
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC NameN-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide
SMILESO=C(NC(CO)C(=O)Nc1nccs1)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H14N4O3S/c20-8-12(14(22)19-15-16-5-6-23-15)18-13(21)11-7-9-3-1-2-4-10(9)17-11/h1-7,12,17,20H,8H2,(H,18,21)(H,16,19,22)
InChIKeyHACBMQXHJZNYKQ-UHFFFAOYSA-N
XLogP1.35
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide (CID 5171439) is N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide is O=C(NC(CO)C(=O)Nc1nccs1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is HACBMQXHJZNYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c20-8-12(14(22)19-15-16-5-6-23-15)18-13(21)11-7-9-3-1-2-4-10(9)17-11/h1-7,12,17,20H,8H2,(H,18,21)(H,16,19,22).
What are the key properties of N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide?
N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 5171439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).