4-ethyl-4-methyl-N-(4-pyrrolidin-1-ylphenyl)-5H-1,3-thiazol-2-amine

C16H23N3S — CID 64551733

IUPAC4-ethyl-4-methyl-N-(4-pyrrolidin-1-ylphenyl)-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2ccc(N3CCCC3)cc2)=N1
InChIInChI=1S/C16H23N3S/c1-3-16(2)12-20-15(18-16)17-13-6-8-14(9-7-13)19-10-4-5-11-19/h6-9H,3-5,10-12H2,1-2H3,(H,17,18)
InChIKeyCBDSIDZMCZJUOW-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.97
Rot. Bonds3

About 4-ethyl-4-methyl-N-(4-pyrrolidin-1-ylphenyl)-5H-1,3-thiazol-2-amine

4-ethyl-4-methyl-N-(4-pyrrolidin-1-ylphenyl)-5H-1,3-thiazol-2-amine (PubChem CID 64551733) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 4-ethyl-4-methyl-N-(4-pyrrolidin-1-ylphenyl)-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-4-methyl-N-(4-pyrrolidin-1-ylphenyl)-5H-1,3-thiazol-2-amine
PubChem CID64551733
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name4-ethyl-4-methyl-N-(4-pyrrolidin-1-ylphenyl)-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2ccc(N3CCCC3)cc2)=N1
InChIInChI=1S/C16H23N3S/c1-3-16(2)12-20-15(18-16)17-13-6-8-14(9-7-13)19-10-4-5-11-19/h6-9H,3-5,10-12H2,1-2H3,(H,17,18)
InChIKeyCBDSIDZMCZJUOW-UHFFFAOYSA-N
XLogP3.97
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dibromo-4-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 114209184
4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine
CID 55081235
N-(4-bromo-2,6-dichlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64558420
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine
CID 104534517
N-(4-ethoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62522939
N-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550265
4-ethyl-4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine
CID 106165741
4,4-diethyl-N-(3-iodophenyl)-5H-1,3-thiazol-2-amine
CID 62523962
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64551499
N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline
CID 62347242

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-N-(4-pyrrolidin-1-ylphenyl)-5H-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-4-methyl-N-(4-pyrrolidin-1-ylphenyl)-5H-1,3-thiazol-2-amine (CID 64551733) is 4-ethyl-4-methyl-N-(4-pyrrolidin-1-ylphenyl)-5H-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-4-methyl-N-(4-pyrrolidin-1-ylphenyl)-5H-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-4-methyl-N-(4-pyrrolidin-1-ylphenyl)-5H-1,3-thiazol-2-amine is CCC1(C)CSC(Nc2ccc(N3CCCC3)cc2)=N1.
What is the InChIKey of 4-ethyl-4-methyl-N-(4-pyrrolidin-1-ylphenyl)-5H-1,3-thiazol-2-amine?
The InChIKey is CBDSIDZMCZJUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-3-16(2)12-20-15(18-16)17-13-6-8-14(9-7-13)19-10-4-5-11-19/h6-9H,3-5,10-12H2,1-2H3,(H,17,18).
What are the key properties of 4-ethyl-4-methyl-N-(4-pyrrolidin-1-ylphenyl)-5H-1,3-thiazol-2-amine?
4-ethyl-4-methyl-N-(4-pyrrolidin-1-ylphenyl)-5H-1,3-thiazol-2-amine has a molecular weight of 289.45 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-N-(4-pyrrolidin-1-ylphenyl)-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 64551733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).