3-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]propanamide;dihydrochloride

C11H19Cl2N3OS — CID 119890194

IUPAC3-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)NC1(c2nccs2)CCCC1
InChIInChI=1S/C11H17N3OS.2ClH/c12-6-3-9(15)14-11(4-1-2-5-11)10-13-7-8-16-10;;/h7-8H,1-6,12H2,(H,14,15);2*1H
InChIKeyXZSBXCRUJPZTNM-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.22
Rot. Bonds4

About 3-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]propanamide;dihydrochloride

3-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]propanamide;dihydrochloride (PubChem CID 119890194) has the molecular formula C11H19Cl2N3OS and a molecular weight of 312.27 g/mol. Its IUPAC name is 3-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]propanamide;dihydrochloride
PubChem CID119890194
Molecular FormulaC11H19Cl2N3OS
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC Name3-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)NC1(c2nccs2)CCCC1
InChIInChI=1S/C11H17N3OS.2ClH/c12-6-3-9(15)14-11(4-1-2-5-11)10-13-7-8-16-10;;/h7-8H,1-6,12H2,(H,14,15);2*1H
InChIKeyXZSBXCRUJPZTNM-UHFFFAOYSA-N
XLogP2.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]propanamide;dihydrochloride (CID 119890194) is 3-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]propanamide;dihydrochloride is Cl.Cl.NCCC(=O)NC1(c2nccs2)CCCC1.
What is the InChIKey of 3-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]propanamide;dihydrochloride?
The InChIKey is XZSBXCRUJPZTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS.2ClH/c12-6-3-9(15)14-11(4-1-2-5-11)10-13-7-8-16-10;;/h7-8H,1-6,12H2,(H,14,15);2*1H.
What are the key properties of 3-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]propanamide;dihydrochloride?
3-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]propanamide;dihydrochloride has a molecular weight of 312.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]propanamide;dihydrochloride is sourced from PubChem (CID 119890194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).