N,N-diethyl-3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-amine

C17H25N3S — CID 23996772

IUPACN,N-diethyl-3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-amine
SMILESCCN(CC)CCCn1c(C)cs/c1=N\c1ccccc1
InChIInChI=1S/C17H25N3S/c1-4-19(5-2)12-9-13-20-15(3)14-21-17(20)18-16-10-7-6-8-11-16/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3/b18-17-
InChIKeyAVUGUSFHOZRNQK-ZCXUNETKSA-N
MW303.47 g/mol
LogP3.82
Rot. Bonds7

About N,N-diethyl-3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-amine

N,N-diethyl-3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-amine (PubChem CID 23996772) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N,N-diethyl-3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-amine
PubChem CID23996772
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN,N-diethyl-3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-amine
SMILESCCN(CC)CCCn1c(C)cs/c1=N\c1ccccc1
InChIInChI=1S/C17H25N3S/c1-4-19(5-2)12-9-13-20-15(3)14-21-17(20)18-16-10-7-6-8-11-16/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3/b18-17-
InChIKeyAVUGUSFHOZRNQK-ZCXUNETKSA-N
XLogP3.82
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine
CID 56972563
4-methyl-3-pentyl-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 56972596
3-butyl-4-methyl-N-(2-nitrophenyl)-1,3-thiazol-2-imine
CID 23741646
4-methyl-3-(3-methylbutyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine
CID 56972571
4-[[4-(2,4-dichlorophenyl)-3-[3-(diethylamino)propyl]-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23995237
3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 18813168
4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine
CID 56972572
3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one
CID 23736145
4-methyl-N-(4-propan-2-ylphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine
CID 23996371
3-butyl-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2-imine
CID 3479785
4-methyl-N-(2-methylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-2-imine
CID 7614930
N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine
CID 18812697

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-amine?
The IUPAC name of N,N-diethyl-3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-amine (CID 23996772) is N,N-diethyl-3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-amine?
The canonical SMILES for N,N-diethyl-3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-amine is CCN(CC)CCCn1c(C)cs/c1=N\c1ccccc1.
What is the InChIKey of N,N-diethyl-3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-amine?
The InChIKey is AVUGUSFHOZRNQK-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H25N3S/c1-4-19(5-2)12-9-13-20-15(3)14-21-17(20)18-16-10-7-6-8-11-16/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3/b18-17-.
What are the key properties of N,N-diethyl-3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-amine?
N,N-diethyl-3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-amine is sourced from PubChem (CID 23996772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).