4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride

C17H24ClN3O2S — CID 120588197

IUPAC4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1.Cl
InChIInChI=1S/C17H23N3O2S.ClH/c1-11(2)16-15(12-7-5-4-6-8-12)20-17(23-16)19-14(21)9-13(10-18)22-3;/h4-8,11,13H,9-10,18H2,1-3H3,(H,19,20,21);1H
InChIKeyGNPFAASAZNMILZ-UHFFFAOYSA-N
MW369.92 g/mol
LogP3.66
Rot. Bonds7

About 4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride

4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride (PubChem CID 120588197) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride
PubChem CID120588197
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC Name4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1.Cl
InChIInChI=1S/C17H23N3O2S.ClH/c1-11(2)16-15(12-7-5-4-6-8-12)20-17(23-16)19-14(21)9-13(10-18)22-3;/h4-8,11,13H,9-10,18H2,1-3H3,(H,19,20,21);1H
InChIKeyGNPFAASAZNMILZ-UHFFFAOYSA-N
XLogP3.66
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide
CID 120586855
N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 39001874
4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide
CID 120587389
4-(methoxymethyl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 120620812
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 111333750
2-[(4-bromophenyl)methylsulfonyl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 112827270
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 31288202
3-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 39001437
4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide
CID 120589978
(2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120620807
N-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55688843
N-(2-methylpropyl)-4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine
CID 63470536

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride (CID 120588197) is 4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride is COC(CN)CC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride?
The InChIKey is GNPFAASAZNMILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S.ClH/c1-11(2)16-15(12-7-5-4-6-8-12)20-17(23-16)19-14(21)9-13(10-18)22-3;/h4-8,11,13H,9-10,18H2,1-3H3,(H,19,20,21);1H.
What are the key properties of 4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride?
4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride has a molecular weight of 369.92 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 120588197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).