N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C20H28N4OS — CID 55735230

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCCCN1CC(C)CC(C)C1
InChIInChI=1S/C20H28N4OS/c1-14-11-15(2)13-24(12-14)10-6-9-22-19(25)18-16(3)23-20(26-18)17-7-4-5-8-21-17/h4-5,7-8,14-15H,6,9-13H2,1-3H3,(H,22,25)
InChIKeyDNHVAZFORDLGTI-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.61
Rot. Bonds6

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55735230) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55735230
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCCCN1CC(C)CC(C)C1
InChIInChI=1S/C20H28N4OS/c1-14-11-15(2)13-24(12-14)10-6-9-22-19(25)18-16(3)23-20(26-18)17-7-4-5-8-21-17/h4-5,7-8,14-15H,6,9-13H2,1-3H3,(H,22,25)
InChIKeyDNHVAZFORDLGTI-UHFFFAOYSA-N
XLogP3.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 55849054
6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 39165087
4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 94868020
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71895393
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134040764
4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 47026987
N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138190
N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26953998
4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9457265

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 55735230) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)NCCCN1CC(C)CC(C)C1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DNHVAZFORDLGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-14-11-15(2)13-24(12-14)10-6-9-22-19(25)18-16(3)23-20(26-18)17-7-4-5-8-21-17/h4-5,7-8,14-15H,6,9-13H2,1-3H3,(H,22,25).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 372.54 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55735230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).