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

C20H27FN4OS2 — CID 156735011

IUPACN-[(5-fluorothiophen-2-yl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H]1CCCN(C2CCN(c3ncc(C(=O)NCc4ccc(F)s4)s3)CC2)C1
InChIInChI=1S/C20H27FN4OS2/c1-14-3-2-8-25(13-14)15-6-9-24(10-7-15)20-23-12-17(28-20)19(26)22-11-16-4-5-18(21)27-16/h4-5,12,14-15H,2-3,6-11,13H2,1H3,(H,22,26)/t14-/m1/s1
InChIKeyYSVTUGUVDPKHGU-CQSZACIVSA-N
MW422.60 g/mol
LogP3.97
Rot. Bonds5

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

N-[(5-fluorothiophen-2-yl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 156735011) has the molecular formula C20H27FN4OS2 and a molecular weight of 422.60 g/mol. Its IUPAC name is N-[(5-fluorothiophen-2-yl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-fluorothiophen-2-yl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID156735011
Molecular FormulaC20H27FN4OS2
Molecular Weight422.60 g/mol
Exact Mass422.16
IUPAC NameN-[(5-fluorothiophen-2-yl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H]1CCCN(C2CCN(c3ncc(C(=O)NCc4ccc(F)s4)s3)CC2)C1
InChIInChI=1S/C20H27FN4OS2/c1-14-3-2-8-25(13-14)15-6-9-24(10-7-15)20-23-12-17(28-20)19(26)22-11-16-4-5-18(21)27-16/h4-5,12,14-15H,2-3,6-11,13H2,1H3,(H,22,26)/t14-/m1/s1
InChIKeyYSVTUGUVDPKHGU-CQSZACIVSA-N
XLogP3.97
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-fluorothiophen-2-yl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

US20240000767, Example 117
CID 162434999
US20240000767, Example 50
CID 156735008
US20240000767, Example 19
CID 156735013
US20240000767, Example 53
CID 156735026
US20240000767, Example 21
CID 156735028
US20240000767, Example 71
CID 156735029
US20240000767, Example 22
CID 156735036
US20240000767, Example 86
CID 156735047
N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 156735054
US20240000767, Example 76
CID 156735077
US20240000767, Example 41
CID 156735080
US20240000767, Example 6
CID 156735098

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 156735011) is N-[(5-fluorothiophen-2-yl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(5-fluorothiophen-2-yl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(5-fluorothiophen-2-yl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is C[C@@H]1CCCN(C2CCN(c3ncc(C(=O)NCc4ccc(F)s4)s3)CC2)C1.
What is the InChIKey of N-[(5-fluorothiophen-2-yl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is YSVTUGUVDPKHGU-CQSZACIVSA-N. The full InChI is InChI=1S/C20H27FN4OS2/c1-14-3-2-8-25(13-14)15-6-9-24(10-7-15)20-23-12-17(28-20)19(26)22-11-16-4-5-18(21)27-16/h4-5,12,14-15H,2-3,6-11,13H2,1H3,(H,22,26)/t14-/m1/s1.
What are the key properties of N-[(5-fluorothiophen-2-yl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
N-[(5-fluorothiophen-2-yl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 422.60 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluorothiophen-2-yl)methyl]-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156735011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).