N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride

C18H18ClN3OS — CID 42914899

IUPACN-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1.Cl
InChIInChI=1S/C18H17N3OS.ClH/c1-2-17(22)19-15-10-8-13(9-11-15)16-12-23-18(21-16)20-14-6-4-3-5-7-14;/h3-12H,2H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyIHKHTWSXRKQVHR-UHFFFAOYSA-N
MW359.88 g/mol
LogP5.32
Rot. Bonds5

About N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride

N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride (PubChem CID 42914899) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
PubChem CID42914899
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC NameN-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1.Cl
InChIInChI=1S/C18H17N3OS.ClH/c1-2-17(22)19-15-10-8-13(9-11-15)16-12-23-18(21-16)20-14-6-4-3-5-7-14;/h3-12H,2H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyIHKHTWSXRKQVHR-UHFFFAOYSA-N
XLogP5.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.88
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide
CID 935726
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 156772101
N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3891823
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide
CID 17444226
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide
CID 5037390
N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 122159689
N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356285
4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 23889662

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride?
The IUPAC name of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride (CID 42914899) is N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride is CCC(=O)Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1.Cl.
What is the InChIKey of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride?
The InChIKey is IHKHTWSXRKQVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS.ClH/c1-2-17(22)19-15-10-8-13(9-11-15)16-12-23-18(21-16)20-14-6-4-3-5-7-14;/h3-12H,2H2,1H3,(H,19,22)(H,20,21);1H.
What are the key properties of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride?
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride has a molecular weight of 359.88 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 42914899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).