N-[(2R)-2-hydroxy-3-(5H-imidazo[1,2-a][3,1]benzothiazin-7-ylamino)propyl]acetamide

C15H18N4O2S — CID 54531835

IUPACN-[(2R)-2-hydroxy-3-(5H-imidazo[1,2-a][3,1]benzothiazin-7-ylamino)propyl]acetamide
SMILESCC(=O)NC[C@H](O)CNc1ccc2c(c1)CSc1nccn1-2
InChIInChI=1S/C15H18N4O2S/c1-10(20)17-7-13(21)8-18-12-2-3-14-11(6-12)9-22-15-16-4-5-19(14)15/h2-6,13,18,21H,7-9H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyYXCCUUGJFYVMBU-ZDUSSCGKSA-N
MW318.40 g/mol
LogP1.39
Rot. Bonds5

About N-[(2R)-2-hydroxy-3-(5H-imidazo[1,2-a][3,1]benzothiazin-7-ylamino)propyl]acetamide

N-[(2R)-2-hydroxy-3-(5H-imidazo[1,2-a][3,1]benzothiazin-7-ylamino)propyl]acetamide (PubChem CID 54531835) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-(5H-imidazo[1,2-a][3,1]benzothiazin-7-ylamino)propyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-(5H-imidazo[1,2-a][3,1]benzothiazin-7-ylamino)propyl]acetamide
PubChem CID54531835
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[(2R)-2-hydroxy-3-(5H-imidazo[1,2-a][3,1]benzothiazin-7-ylamino)propyl]acetamide
SMILESCC(=O)NC[C@H](O)CNc1ccc2c(c1)CSc1nccn1-2
InChIInChI=1S/C15H18N4O2S/c1-10(20)17-7-13(21)8-18-12-2-3-14-11(6-12)9-22-15-16-4-5-19(14)15/h2-6,13,18,21H,7-9H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyYXCCUUGJFYVMBU-ZDUSSCGKSA-N
XLogP1.39
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-(5H-imidazo[1,2-a][3,1]benzothiazin-7-ylamino)propyl]acetamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-(5H-imidazo[1,2-a][3,1]benzothiazin-7-ylamino)propyl]acetamide (CID 54531835) is N-[(2R)-2-hydroxy-3-(5H-imidazo[1,2-a][3,1]benzothiazin-7-ylamino)propyl]acetamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-(5H-imidazo[1,2-a][3,1]benzothiazin-7-ylamino)propyl]acetamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-(5H-imidazo[1,2-a][3,1]benzothiazin-7-ylamino)propyl]acetamide is CC(=O)NC[C@H](O)CNc1ccc2c(c1)CSc1nccn1-2.
What is the InChIKey of N-[(2R)-2-hydroxy-3-(5H-imidazo[1,2-a][3,1]benzothiazin-7-ylamino)propyl]acetamide?
The InChIKey is YXCCUUGJFYVMBU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10(20)17-7-13(21)8-18-12-2-3-14-11(6-12)9-22-15-16-4-5-19(14)15/h2-6,13,18,21H,7-9H2,1H3,(H,17,20)/t13-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-(5H-imidazo[1,2-a][3,1]benzothiazin-7-ylamino)propyl]acetamide?
N-[(2R)-2-hydroxy-3-(5H-imidazo[1,2-a][3,1]benzothiazin-7-ylamino)propyl]acetamide has a molecular weight of 318.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-(5H-imidazo[1,2-a][3,1]benzothiazin-7-ylamino)propyl]acetamide is sourced from PubChem (CID 54531835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).