N-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide

C19H25N3O2S — CID 23798960

IUPACN-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
SMILESCCOc1ccccc1CCNC(=O)c1csc(C2CCNCC2)n1
InChIInChI=1S/C19H25N3O2S/c1-2-24-17-6-4-3-5-14(17)9-12-21-18(23)16-13-25-19(22-16)15-7-10-20-11-8-15/h3-6,13,15,20H,2,7-12H2,1H3,(H,21,23)
InChIKeyLQQUCDQGCCDRQQ-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.98
Rot. Bonds7

About N-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide

N-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 23798960) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID23798960
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
SMILESCCOc1ccccc1CCNC(=O)c1csc(C2CCNCC2)n1
InChIInChI=1S/C19H25N3O2S/c1-2-24-17-6-4-3-5-14(17)9-12-21-18(23)16-13-25-19(22-16)15-7-10-20-11-8-15/h3-6,13,15,20H,2,7-12H2,1H3,(H,21,23)
InChIKeyLQQUCDQGCCDRQQ-UHFFFAOYSA-N
XLogP2.98
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3791349
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-[2-(2-ethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 4982776
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3828657
N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3842964
N-[2-(2-ethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119772912
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3854076
N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3553057
ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 5091991
ethyl 3-benzylsulfanyl-2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]propanoate
CID 3875360
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23880769
2-[1-[2-[4-(1,1-difluoroethyl)phenyl]benzoyl]piperidin-4-yl]-N-[3-(2-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide
CID 142983022
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide
CID 124591619

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide (CID 23798960) is N-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide is CCOc1ccccc1CCNC(=O)c1csc(C2CCNCC2)n1.
What is the InChIKey of N-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is LQQUCDQGCCDRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-2-24-17-6-4-3-5-14(17)9-12-21-18(23)16-13-25-19(22-16)15-7-10-20-11-8-15/h3-6,13,15,20H,2,7-12H2,1H3,(H,21,23).
What are the key properties of N-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
N-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 23798960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).