N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

C17H24N4S — CID 168617446

IUPACN-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCCCCN(C)Cc1cccc(C=NNc2nc(C)cs2)c1
InChIInChI=1S/C17H24N4S/c1-4-5-9-21(3)12-16-8-6-7-15(10-16)11-18-20-17-19-14(2)13-22-17/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H,19,20)
InChIKeyCHWZCISWOHIIOM-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.13
Rot. Bonds8

About N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168617446) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168617446
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC NameN-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCCCCN(C)Cc1cccc(C=NNc2nc(C)cs2)c1
InChIInChI=1S/C17H24N4S/c1-4-5-9-21(3)12-16-8-6-7-15(10-16)11-18-20-17-19-14(2)13-22-17/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H,19,20)
InChIKeyCHWZCISWOHIIOM-UHFFFAOYSA-N
XLogP4.13
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline
CID 169382052
4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617314
N-[[3-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617096
N-[[3-[(3-fluorophenoxy)methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617378
N-[[3-[(2,6-difluorophenoxy)methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617523
4-methyl-N-[[3-(2-phenylethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168618417
2-N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626182
4-methyl-N-[(4-methyl-3-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168617551
N-[(4-fluoro-3-pentoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617263
2-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]guanidine
CID 168590771
N-[[3-(4-methoxyphenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617631
N-[[3-(2,4-difluorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617664

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168617446) is N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is CCCCN(C)Cc1cccc(C=NNc2nc(C)cs2)c1.
What is the InChIKey of N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is CHWZCISWOHIIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-4-5-9-21(3)12-16-8-6-7-15(10-16)11-18-20-17-19-14(2)13-22-17/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H,19,20).
What are the key properties of N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 316.47 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168617446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).