N-[4-[2-[4-[(2-amino-1H-imidazol-5-yl)methyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride

C17H20ClN5OS — CID 71713910

IUPACN-[4-[2-[4-[(2-amino-1H-imidazol-5-yl)methyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1nc(CCc2ccc(Cc3cnc(N)[nH]3)cc2)cs1.Cl
InChIInChI=1S/C17H19N5OS.ClH/c1-11(23)20-17-22-14(10-24-17)7-6-12-2-4-13(5-3-12)8-15-9-19-16(18)21-15;/h2-5,9-10H,6-8H2,1H3,(H3,18,19,21)(H,20,22,23);1H
InChIKeyXYQWAISRHSHNND-UHFFFAOYSA-N
MW377.90 g/mol
LogP3.20
Rot. Bonds6

About N-[4-[2-[4-[(2-amino-1H-imidazol-5-yl)methyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride

N-[4-[2-[4-[(2-amino-1H-imidazol-5-yl)methyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride (PubChem CID 71713910) has the molecular formula C17H20ClN5OS and a molecular weight of 377.90 g/mol. Its IUPAC name is N-[4-[2-[4-[(2-amino-1H-imidazol-5-yl)methyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-[4-[(2-amino-1H-imidazol-5-yl)methyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
PubChem CID71713910
Molecular FormulaC17H20ClN5OS
Molecular Weight377.90 g/mol
Exact Mass377.11
IUPAC NameN-[4-[2-[4-[(2-amino-1H-imidazol-5-yl)methyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1nc(CCc2ccc(Cc3cnc(N)[nH]3)cc2)cs1.Cl
InChIInChI=1S/C17H19N5OS.ClH/c1-11(23)20-17-22-14(10-24-17)7-6-12-2-4-13(5-3-12)8-15-9-19-16(18)21-15;/h2-5,9-10H,6-8H2,1H3,(H3,18,19,21)(H,20,22,23);1H
InChIKeyXYQWAISRHSHNND-UHFFFAOYSA-N
XLogP3.20
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[(2-amino-1H-imidazol-5-yl)methyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?
The IUPAC name of N-[4-[2-[4-[(2-amino-1H-imidazol-5-yl)methyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride (CID 71713910) is N-[4-[2-[4-[(2-amino-1H-imidazol-5-yl)methyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-[4-[(2-amino-1H-imidazol-5-yl)methyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[2-[4-[(2-amino-1H-imidazol-5-yl)methyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride is CC(=O)Nc1nc(CCc2ccc(Cc3cnc(N)[nH]3)cc2)cs1.Cl.
What is the InChIKey of N-[4-[2-[4-[(2-amino-1H-imidazol-5-yl)methyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?
The InChIKey is XYQWAISRHSHNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS.ClH/c1-11(23)20-17-22-14(10-24-17)7-6-12-2-4-13(5-3-12)8-15-9-19-16(18)21-15;/h2-5,9-10H,6-8H2,1H3,(H3,18,19,21)(H,20,22,23);1H.
What are the key properties of N-[4-[2-[4-[(2-amino-1H-imidazol-5-yl)methyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?
N-[4-[2-[4-[(2-amino-1H-imidazol-5-yl)methyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride has a molecular weight of 377.90 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[(2-amino-1H-imidazol-5-yl)methyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 71713910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).