N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C15H19ClFN3OS — CID 119681461

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1.Cl
InChIInChI=1S/C15H18FN3OS.ClH/c1-9(8-17-3)14(20)19-15-18-13(10(2)21-15)11-4-6-12(16)7-5-11;/h4-7,9,17H,8H2,1-3H3,(H,18,19,20);1H
InChIKeyPZCRBNIESPBZCC-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.47
Rot. Bonds5

About N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119681461) has the molecular formula C15H19ClFN3OS and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119681461
Molecular FormulaC15H19ClFN3OS
Molecular Weight343.86 g/mol
Exact Mass343.09
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1.Cl
InChIInChI=1S/C15H18FN3OS.ClH/c1-9(8-17-3)14(20)19-15-18-13(10(2)21-15)11-4-6-12(16)7-5-11;/h4-7,9,17H,8H2,1-3H3,(H,18,19,20);1H
InChIKeyPZCRBNIESPBZCC-UHFFFAOYSA-N
XLogP3.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119681505
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119693581
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 119266990
(2R)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 25495361
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177617
(2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 9094325
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
3-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 19226381
4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 3431018
N-[1-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 55823503
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 1406576
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119681461) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1.Cl.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is PZCRBNIESPBZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS.ClH/c1-9(8-17-3)14(20)19-15-18-13(10(2)21-15)11-4-6-12(16)7-5-11;/h4-7,9,17H,8H2,1-3H3,(H,18,19,20);1H.
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119681461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).