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

C16H18ClN5OS — CID 71713908

IUPACN-[4-[2-[4-(2-amino-1H-imidazol-5-yl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1nc(CCc2ccc(-c3cnc(N)[nH]3)cc2)cs1.Cl
InChIInChI=1S/C16H17N5OS.ClH/c1-10(22)19-16-20-13(9-23-16)7-4-11-2-5-12(6-3-11)14-8-18-15(17)21-14;/h2-3,5-6,8-9H,4,7H2,1H3,(H3,17,18,21)(H,19,20,22);1H
InChIKeyQKAPQTIDKJDIFE-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.28
Rot. Bonds5

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

N-[4-[2-[4-(2-amino-1H-imidazol-5-yl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride (PubChem CID 71713908) has the molecular formula C16H18ClN5OS and a molecular weight of 363.87 g/mol. Its IUPAC name is N-[4-[2-[4-(2-amino-1H-imidazol-5-yl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-[4-(2-amino-1H-imidazol-5-yl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
PubChem CID71713908
Molecular FormulaC16H18ClN5OS
Molecular Weight363.87 g/mol
Exact Mass363.09
IUPAC NameN-[4-[2-[4-(2-amino-1H-imidazol-5-yl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1nc(CCc2ccc(-c3cnc(N)[nH]3)cc2)cs1.Cl
InChIInChI=1S/C16H17N5OS.ClH/c1-10(22)19-16-20-13(9-23-16)7-4-11-2-5-12(6-3-11)14-8-18-15(17)21-14;/h2-3,5-6,8-9H,4,7H2,1H3,(H3,17,18,21)(H,19,20,22);1H
InChIKeyQKAPQTIDKJDIFE-UHFFFAOYSA-N
XLogP3.28
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.28
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)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?
The IUPAC name of N-[4-[2-[4-(2-amino-1H-imidazol-5-yl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride (CID 71713908) is N-[4-[2-[4-(2-amino-1H-imidazol-5-yl)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)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[2-[4-(2-amino-1H-imidazol-5-yl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride is CC(=O)Nc1nc(CCc2ccc(-c3cnc(N)[nH]3)cc2)cs1.Cl.
What is the InChIKey of N-[4-[2-[4-(2-amino-1H-imidazol-5-yl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?
The InChIKey is QKAPQTIDKJDIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS.ClH/c1-10(22)19-16-20-13(9-23-16)7-4-11-2-5-12(6-3-11)14-8-18-15(17)21-14;/h2-3,5-6,8-9H,4,7H2,1H3,(H3,17,18,21)(H,19,20,22);1H.
What are the key properties of N-[4-[2-[4-(2-amino-1H-imidazol-5-yl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?
N-[4-[2-[4-(2-amino-1H-imidazol-5-yl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 3.28, 5 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)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 71713908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).