4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

C20H18ClN5S — CID 22953883

IUPAC4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(Cc2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)cs1
InChIInChI=1S/C20H18ClN5S/c1-26(2)20-23-16(12-27-20)11-17-18(13-7-9-22-10-8-13)19(25-24-17)14-3-5-15(21)6-4-14/h3-10,12H,11H2,1-2H3,(H,24,25)
InChIKeyLTRMEACYZOHERX-UHFFFAOYSA-N
MW395.92 g/mol
LogP4.91
Rot. Bonds5

About 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 22953883) has the molecular formula C20H18ClN5S and a molecular weight of 395.92 g/mol. Its IUPAC name is 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID22953883
Molecular FormulaC20H18ClN5S
Molecular Weight395.92 g/mol
Exact Mass395.10
IUPAC Name4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(Cc2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)cs1
InChIInChI=1S/C20H18ClN5S/c1-26(2)20-23-16(12-27-20)11-17-18(13-7-9-22-10-8-13)19(25-24-17)14-3-5-15(21)6-4-14/h3-10,12H,11H2,1-2H3,(H,24,25)
InChIKeyLTRMEACYZOHERX-UHFFFAOYSA-N
XLogP4.91
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.92
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 22953883) is 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is CN(C)c1nc(Cc2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)cs1.
What is the InChIKey of 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is LTRMEACYZOHERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5S/c1-26(2)20-23-16(12-27-20)11-17-18(13-7-9-22-10-8-13)19(25-24-17)14-3-5-15(21)6-4-14/h3-10,12H,11H2,1-2H3,(H,24,25).
What are the key properties of 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 395.92 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 22953883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).