N-(2,3-dihydro-1H-inden-5-yl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride

C14H16ClN3OS — CID 6603273

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\sccn1CC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H15N3OS.ClH/c15-14-17(6-7-19-14)9-13(18)16-12-5-4-10-2-1-3-11(10)8-12;/h4-8,15H,1-3,9H2,(H,16,18);1H/b15-14-;
InChIKeyXGOLDJNFGJMAQC-BGWNKZQTSA-N
MW309.82 g/mol
LogP2.58
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride

N-(2,3-dihydro-1H-inden-5-yl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride (PubChem CID 6603273) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
PubChem CID6603273
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\sccn1CC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H15N3OS.ClH/c15-14-17(6-7-19-14)9-13(18)16-12-5-4-10-2-1-3-11(10)8-12;/h4-8,15H,1-3,9H2,(H,16,18);1H/b15-14-;
InChIKeyXGOLDJNFGJMAQC-BGWNKZQTSA-N
XLogP2.58
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride (CID 6603273) is N-(2,3-dihydro-1H-inden-5-yl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride is Cl.[H]/N=c1\sccn1CC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
The InChIKey is XGOLDJNFGJMAQC-BGWNKZQTSA-N. The full InChI is InChI=1S/C14H15N3OS.ClH/c15-14-17(6-7-19-14)9-13(18)16-12-5-4-10-2-1-3-11(10)8-12;/h4-8,15H,1-3,9H2,(H,16,18);1H/b15-14-;.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride has a molecular weight of 309.82 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 6603273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).