N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

C18H23N3O2S — CID 74233096

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc(CN3CCCC3)s2)cc1
InChIInChI=1S/C18H23N3O2S/c1-23-15-6-4-14(5-7-15)8-9-19-18(22)16-12-20-17(24-16)13-21-10-2-3-11-21/h4-7,12H,2-3,8-11,13H2,1H3,(H,19,22)
InChIKeyPPQVCSFFSMYZFC-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.72
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 74233096) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID74233096
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc(CN3CCCC3)s2)cc1
InChIInChI=1S/C18H23N3O2S/c1-23-15-6-4-14(5-7-15)8-9-19-18(22)16-12-20-17(24-16)13-21-10-2-3-11-21/h4-7,12H,2-3,8-11,13H2,1H3,(H,19,22)
InChIKeyPPQVCSFFSMYZFC-UHFFFAOYSA-N
XLogP2.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 23090893
N-[2-(4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
CID 117086083
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 117088724
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387103
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387104
N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 117087862
N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182753
2-(pyrrolidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 74239423
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 45184928
N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 117092091
N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 24538278
5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109106436

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide (CID 74233096) is N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide is COc1ccc(CCNC(=O)c2cnc(CN3CCCC3)s2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is PPQVCSFFSMYZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-23-15-6-4-14(5-7-15)8-9-19-18(22)16-12-20-17(24-16)13-21-10-2-3-11-21/h4-7,12H,2-3,8-11,13H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 74233096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).