5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-2,4-diamine

C15H20N4OS — CID 121335035

IUPAC5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-2,4-diamine
SMILESNc1nc(N)c(-c2ccc(OCCN3CCCC3)cc2)s1
InChIInChI=1S/C15H20N4OS/c16-14-13(21-15(17)18-14)11-3-5-12(6-4-11)20-10-9-19-7-1-2-8-19/h3-6H,1-2,7-10,16H2,(H2,17,18)
InChIKeyUHTAQQGWFYVUQK-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.45
Rot. Bonds5

About 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-2,4-diamine

5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-2,4-diamine (PubChem CID 121335035) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-2,4-diamine
PubChem CID121335035
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-2,4-diamine
SMILESNc1nc(N)c(-c2ccc(OCCN3CCCC3)cc2)s1
InChIInChI=1S/C15H20N4OS/c16-14-13(21-15(17)18-14)11-3-5-12(6-4-11)20-10-9-19-7-1-2-8-19/h3-6H,1-2,7-10,16H2,(H2,17,18)
InChIKeyUHTAQQGWFYVUQK-UHFFFAOYSA-N
XLogP2.45
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-7-ol
CID 21182904
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 91805558
5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine
CID 22326855
1-[2-[4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]phenoxy]ethyl]pyrrolidine
CID 1635
[2-(4-aminophenyl)-1-benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
CID 22462724
5-methyl-4-N-(4-methylphenyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 66638072
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
2-[4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]phenoxy]ethanamine
CID 10528448
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-2,4-diamine?
The IUPAC name of 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-2,4-diamine (CID 121335035) is 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-2,4-diamine is Nc1nc(N)c(-c2ccc(OCCN3CCCC3)cc2)s1.
What is the InChIKey of 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-2,4-diamine?
The InChIKey is UHTAQQGWFYVUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c16-14-13(21-15(17)18-14)11-3-5-12(6-4-11)20-10-9-19-7-1-2-8-19/h3-6H,1-2,7-10,16H2,(H2,17,18).
What are the key properties of 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-2,4-diamine?
5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-2,4-diamine has a molecular weight of 304.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 121335035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).