5-(4,4-difluoropiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)pentanamide

C14H21F2N3OS — CID 163404226

IUPAC5-(4,4-difluoropiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)pentanamide
SMILESCc1cnc(NC(=O)CCCCN2CCC(F)(F)CC2)s1
InChIInChI=1S/C14H21F2N3OS/c1-11-10-17-13(21-11)18-12(20)4-2-3-7-19-8-5-14(15,16)6-9-19/h10H,2-9H2,1H3,(H,17,18,20)
InChIKeyVHDVPXXLBXTETK-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.29
Rot. Bonds6

About 5-(4,4-difluoropiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)pentanamide

5-(4,4-difluoropiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)pentanamide (PubChem CID 163404226) has the molecular formula C14H21F2N3OS and a molecular weight of 317.40 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)pentanamide
PubChem CID163404226
Molecular FormulaC14H21F2N3OS
Molecular Weight317.40 g/mol
Exact Mass317.14
IUPAC Name5-(4,4-difluoropiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)pentanamide
SMILESCc1cnc(NC(=O)CCCCN2CCC(F)(F)CC2)s1
InChIInChI=1S/C14H21F2N3OS/c1-11-10-17-13(21-11)18-12(20)4-2-3-7-19-8-5-14(15,16)6-9-19/h10H,2-9H2,1H3,(H,17,18,20)
InChIKeyVHDVPXXLBXTETK-UHFFFAOYSA-N
XLogP3.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-Methyl-thiazol-2-yl)-2-piperidin-1-yl-acetamide
CID 23724323
N-[5-(1-piperidinylmethyl)-1,3-thiazol-2-yl]acetamide
CID 314318
N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
CID 856406
N-{5-[(4-methylpiperidyl)methyl]-1,3-thiazol-2-yl}acetamide
CID 671270
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 3229459
N-(5-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 45824857
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 66573013
N-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide
CID 71916802
2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 3229474
N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18072746
N-[2,2,2-trifluoro-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-(trifluoromethyl)ethyl]propanamide
CID 1208101
3-methyl-N-[2,2,2-trifluoro-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-(trifluoromethyl)ethyl]butanamide
CID 1717062

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)pentanamide (CID 163404226) is 5-(4,4-difluoropiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 5-(4,4-difluoropiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 5-(4,4-difluoropiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)pentanamide is Cc1cnc(NC(=O)CCCCN2CCC(F)(F)CC2)s1.
What is the InChIKey of 5-(4,4-difluoropiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is VHDVPXXLBXTETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3OS/c1-11-10-17-13(21-11)18-12(20)4-2-3-7-19-8-5-14(15,16)6-9-19/h10H,2-9H2,1H3,(H,17,18,20).
What are the key properties of 5-(4,4-difluoropiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)pentanamide?
5-(4,4-difluoropiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 317.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 163404226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).