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

C16H22N4OS — CID 168617096

IUPACN-[[3-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cccc(OCCCN(C)C)c2)n1
InChIInChI=1S/C16H22N4OS/c1-13-12-22-16(18-13)19-17-11-14-6-4-7-15(10-14)21-9-5-8-20(2)3/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,18,19)
InChIKeyJJXTZELFTJBPFD-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.23
Rot. Bonds8

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

N-[[3-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168617096) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[[3-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[3-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168617096
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-[[3-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cccc(OCCCN(C)C)c2)n1
InChIInChI=1S/C16H22N4OS/c1-13-12-22-16(18-13)19-17-11-14-6-4-7-15(10-14)21-9-5-8-20(2)3/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,18,19)
InChIKeyJJXTZELFTJBPFD-UHFFFAOYSA-N
XLogP3.23
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[[3-(2-phenylethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168618417
4-methyl-N-[[3-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168618430
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 7346400
N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617397
N-[[3-[(3-fluorophenoxy)methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617378
4-methyl-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168616900
N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617446
N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618452
N-[(Z)-(3-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533642
N-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110533759
N-[[3-(4-methoxyphenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617631
tert-butyl 4-[2-[3-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]piperazine-1-carboxylate
CID 168618967

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[3-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168617096) is N-[[3-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[3-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[3-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NN=Cc2cccc(OCCCN(C)C)c2)n1.
What is the InChIKey of N-[[3-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is JJXTZELFTJBPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-13-12-22-16(18-13)19-17-11-14-6-4-7-15(10-14)21-9-5-8-20(2)3/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,18,19).
What are the key properties of N-[[3-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[[3-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 318.45 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168617096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).