N-[3-(dimethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;hydrochloride

C22H25ClFN3O2S — CID 23724330

IUPACN-[3-(dimethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;hydrochloride
SMILESCOc1ccc(-c2csc(N(CCCN(C)C)C(=O)c3ccc(F)cc3)n2)cc1.Cl
InChIInChI=1S/C22H24FN3O2S.ClH/c1-25(2)13-4-14-26(21(27)17-5-9-18(23)10-6-17)22-24-20(15-29-22)16-7-11-19(28-3)12-8-16;/h5-12,15H,4,13-14H2,1-3H3;1H
InChIKeyQECHZZATLFKGPR-UHFFFAOYSA-N
MW449.98 g/mol
LogP4.98
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;hydrochloride

N-[3-(dimethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;hydrochloride (PubChem CID 23724330) has the molecular formula C22H25ClFN3O2S and a molecular weight of 449.98 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;hydrochloride
PubChem CID23724330
Molecular FormulaC22H25ClFN3O2S
Molecular Weight449.98 g/mol
Exact Mass449.13
IUPAC NameN-[3-(dimethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;hydrochloride
SMILESCOc1ccc(-c2csc(N(CCCN(C)C)C(=O)c3ccc(F)cc3)n2)cc1.Cl
InChIInChI=1S/C22H24FN3O2S.ClH/c1-25(2)13-4-14-26(21(27)17-5-9-18(23)10-6-17)22-24-20(15-29-22)16-7-11-19(28-3)12-8-16;/h5-12,15H,4,13-14H2,1-3H3;1H
InChIKeyQECHZZATLFKGPR-UHFFFAOYSA-N
XLogP4.98
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;hydrochloride (CID 23724330) is N-[3-(dimethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;hydrochloride is COc1ccc(-c2csc(N(CCCN(C)C)C(=O)c3ccc(F)cc3)n2)cc1.Cl.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;hydrochloride?
The InChIKey is QECHZZATLFKGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2S.ClH/c1-25(2)13-4-14-26(21(27)17-5-9-18(23)10-6-17)22-24-20(15-29-22)16-7-11-19(28-3)12-8-16;/h5-12,15H,4,13-14H2,1-3H3;1H.
What are the key properties of N-[3-(dimethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;hydrochloride?
N-[3-(dimethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;hydrochloride has a molecular weight of 449.98 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 23724330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).