N-(5-fluoro-2-methoxyphenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide

C22H29FN4O2S — CID 156735120

IUPACN-(5-fluoro-2-methoxyphenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(F)cc1NC(=O)c1cnc(N2CCC(N3CCC[C@@H](C)C3)CC2)s1
InChIInChI=1S/C22H29FN4O2S/c1-15-4-3-9-27(14-15)17-7-10-26(11-8-17)22-24-13-20(30-22)21(28)25-18-12-16(23)5-6-19(18)29-2/h5-6,12-13,15,17H,3-4,7-11,14H2,1-2H3,(H,25,28)/t15-/m1/s1
InChIKeyQPMZNVADBWYUEK-OAHLLOKOSA-N
MW432.57 g/mol
LogP4.24
Rot. Bonds5

About N-(5-fluoro-2-methoxyphenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide

N-(5-fluoro-2-methoxyphenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 156735120) has the molecular formula C22H29FN4O2S and a molecular weight of 432.57 g/mol. Its IUPAC name is N-(5-fluoro-2-methoxyphenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methoxyphenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID156735120
Molecular FormulaC22H29FN4O2S
Molecular Weight432.57 g/mol
Exact Mass432.20
IUPAC NameN-(5-fluoro-2-methoxyphenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(F)cc1NC(=O)c1cnc(N2CCC(N3CCC[C@@H](C)C3)CC2)s1
InChIInChI=1S/C22H29FN4O2S/c1-15-4-3-9-27(14-15)17-7-10-26(11-8-17)22-24-13-20(30-22)21(28)25-18-12-16(23)5-6-19(18)29-2/h5-6,12-13,15,17H,3-4,7-11,14H2,1-2H3,(H,25,28)/t15-/m1/s1
InChIKeyQPMZNVADBWYUEK-OAHLLOKOSA-N
XLogP4.24
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-(5-(3-(trifluoromethyl)benzyl)-4,5-dihydro-3H-spiro[benzo[b][1,4]oxazepine-2,4'-piperidine]-1'-yl)thiazole-5-carboxamide
CID 50924128
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-(4-methoxyphenyl)acetamide
CID 163368410
N-(2-cyclopropylethyl)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl]-1,3-thiazole-5-carboxamide
CID 50924131
2-[5-[[3-(Trifluoromethyl)phenyl]methyl]spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl]-1,3-thiazole-5-carboxamide
CID 50924283
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 8036879
US20240000767, Example 32
CID 162435022
5-Thiazolecarboxamide, 2-ethyl-N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-, hydrochloride
CID 3039586
5-Thiazolecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-2-propyl-
CID 3039682
2-[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-N-(5-methyl-thiazol-2-yl)-acetamide
CID 1443637
US20240000767, Example 96
CID 156735216
US20240000767, Example 80
CID 162435050
5-Thiazolecarboxamide, N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2-propyl-, monohydrochloride
CID 3039476

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methoxyphenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-fluoro-2-methoxyphenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 156735120) is N-(5-fluoro-2-methoxyphenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methoxyphenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methoxyphenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is COc1ccc(F)cc1NC(=O)c1cnc(N2CCC(N3CCC[C@@H](C)C3)CC2)s1.
What is the InChIKey of N-(5-fluoro-2-methoxyphenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is QPMZNVADBWYUEK-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H29FN4O2S/c1-15-4-3-9-27(14-15)17-7-10-26(11-8-17)22-24-13-20(30-22)21(28)25-18-12-16(23)5-6-19(18)29-2/h5-6,12-13,15,17H,3-4,7-11,14H2,1-2H3,(H,25,28)/t15-/m1/s1.
What are the key properties of N-(5-fluoro-2-methoxyphenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
N-(5-fluoro-2-methoxyphenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methoxyphenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156735120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).