N-[(4-fluoro-3-methoxyphenyl)methyl]-4-methyl-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine

C22H28FN5OS — CID 45166739

IUPACN-[(4-fluoro-3-methoxyphenyl)methyl]-4-methyl-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCOc1cc(CNc2nc(C)c(-c3ccn(CC4CCCN(C)C4)n3)s2)ccc1F
InChIInChI=1S/C22H28FN5OS/c1-15-21(19-8-10-28(26-19)14-17-5-4-9-27(2)13-17)30-22(25-15)24-12-16-6-7-18(23)20(11-16)29-3/h6-8,10-11,17H,4-5,9,12-14H2,1-3H3,(H,24,25)
InChIKeySBWPJAYWZKIYJX-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.42
Rot. Bonds7

About N-[(4-fluoro-3-methoxyphenyl)methyl]-4-methyl-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine

N-[(4-fluoro-3-methoxyphenyl)methyl]-4-methyl-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 45166739) has the molecular formula C22H28FN5OS and a molecular weight of 429.57 g/mol. Its IUPAC name is N-[(4-fluoro-3-methoxyphenyl)methyl]-4-methyl-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methoxyphenyl)methyl]-4-methyl-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
PubChem CID45166739
Molecular FormulaC22H28FN5OS
Molecular Weight429.57 g/mol
Exact Mass429.20
IUPAC NameN-[(4-fluoro-3-methoxyphenyl)methyl]-4-methyl-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCOc1cc(CNc2nc(C)c(-c3ccn(CC4CCCN(C)C4)n3)s2)ccc1F
InChIInChI=1S/C22H28FN5OS/c1-15-21(19-8-10-28(26-19)14-17-5-4-9-27(2)13-17)30-22(25-15)24-12-16-6-7-18(23)20(11-16)29-3/h6-8,10-11,17H,4-5,9,12-14H2,1-3H3,(H,24,25)
InChIKeySBWPJAYWZKIYJX-UHFFFAOYSA-N
XLogP4.42
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-fluoro-3-methoxyphenyl)methyl]-4-methyl-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Methoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea
CID 53492330
3-[(3-Methoxyphenyl)methyl]-1-methyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 67450910
1-[(3-Methoxyphenyl)methyl]-1-methyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87405962
N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
CID 126463397
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2555090
N-[(3-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522328
2-[1-[1-(4-Methoxy-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
CID 44589203
2-[1-[1-[2-Methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
CID 44589223
2-[1-[1-[2-(Difluoromethyl)-4-methoxyphenyl]-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
CID 44589302
4-(3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
CID 49863682
4-(3-methoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine
CID 49863683
4-(3-methoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine
CID 49863684

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methoxyphenyl)methyl]-4-methyl-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-fluoro-3-methoxyphenyl)methyl]-4-methyl-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine (CID 45166739) is N-[(4-fluoro-3-methoxyphenyl)methyl]-4-methyl-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-fluoro-3-methoxyphenyl)methyl]-4-methyl-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-fluoro-3-methoxyphenyl)methyl]-4-methyl-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine is COc1cc(CNc2nc(C)c(-c3ccn(CC4CCCN(C)C4)n3)s2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methoxyphenyl)methyl]-4-methyl-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is SBWPJAYWZKIYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5OS/c1-15-21(19-8-10-28(26-19)14-17-5-4-9-27(2)13-17)30-22(25-15)24-12-16-6-7-18(23)20(11-16)29-3/h6-8,10-11,17H,4-5,9,12-14H2,1-3H3,(H,24,25).
What are the key properties of N-[(4-fluoro-3-methoxyphenyl)methyl]-4-methyl-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine?
N-[(4-fluoro-3-methoxyphenyl)methyl]-4-methyl-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 429.57 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methoxyphenyl)methyl]-4-methyl-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 45166739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).