(1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine

C23H24N4S — CID 42596255

IUPAC(1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCc1csc([C@H](C)N(C)Cc2cn[nH]c2-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C23H24N4S/c1-16-15-28-23(25-16)17(2)27(3)14-21-13-24-26-22(21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-13,15,17H,14H2,1-3H3,(H,24,26)/t17-/m0/s1
InChIKeyKWQSMZPITYUKES-KRWDZBQOSA-N
MW388.54 g/mol
LogP5.70
Rot. Bonds6

About (1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine

(1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine (PubChem CID 42596255) has the molecular formula C23H24N4S and a molecular weight of 388.54 g/mol. Its IUPAC name is (1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
PubChem CID42596255
Molecular FormulaC23H24N4S
Molecular Weight388.54 g/mol
Exact Mass388.17
IUPAC Name(1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCc1csc([C@H](C)N(C)Cc2cn[nH]c2-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C23H24N4S/c1-16-15-28-23(25-16)17(2)27(3)14-21-13-24-26-22(21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-13,15,17H,14H2,1-3H3,(H,24,26)/t17-/m0/s1
InChIKeyKWQSMZPITYUKES-KRWDZBQOSA-N
XLogP5.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
CID 70729446
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine
CID 42196661
(2S)-1-[(3-methylthiophen-2-yl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]propan-2-ol
CID 51495185
2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol
CID 56709649
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine
CID 42197416
N-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine
CID 131892694
2-methyl-3-[methyl-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]amino]propanoic acid
CID 122047080
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 17461528
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091936
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
N,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 50959051
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine
CID 61043851

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of (1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine (CID 42596255) is (1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for (1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for (1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine is Cc1csc([C@H](C)N(C)Cc2cn[nH]c2-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of (1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
The InChIKey is KWQSMZPITYUKES-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N4S/c1-16-15-28-23(25-16)17(2)27(3)14-21-13-24-26-22(21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-13,15,17H,14H2,1-3H3,(H,24,26)/t17-/m0/s1.
What are the key properties of (1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
(1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine has a molecular weight of 388.54 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 42596255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).