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

C20H30N4S — CID 168617461

IUPACN-[[4-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc(CN(CC(C)C)CC(C)C)cc2)n1
InChIInChI=1S/C20H30N4S/c1-15(2)11-24(12-16(3)4)13-19-8-6-18(7-9-19)10-21-23-20-22-17(5)14-25-20/h6-10,14-16H,11-13H2,1-5H3,(H,22,23)
InChIKeyJOSPWYHBFLJLAO-UHFFFAOYSA-N
MW358.56 g/mol
LogP5.01
Rot. Bonds9

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

N-[[4-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168617461) has the molecular formula C20H30N4S and a molecular weight of 358.56 g/mol. Its IUPAC name is N-[[4-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[4-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168617461
Molecular FormulaC20H30N4S
Molecular Weight358.56 g/mol
Exact Mass358.22
IUPAC NameN-[[4-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc(CN(CC(C)C)CC(C)C)cc2)n1
InChIInChI=1S/C20H30N4S/c1-15(2)11-24(12-16(3)4)13-19-8-6-18(7-9-19)10-21-23-20-22-17(5)14-25-20/h6-10,14-16H,11-13H2,1-5H3,(H,22,23)
InChIKeyJOSPWYHBFLJLAO-UHFFFAOYSA-N
XLogP5.01
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.56
LogP ≤ 55.01
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-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617991
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 5348565
4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168616897
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine;hydrochloride
CID 54602728
4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168619483
N-[[4-(imidazol-1-ylmethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619376
N-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577031
4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168600655
6-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]hexanenitrile
CID 168618709
2-N-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626169
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4642843
N-[[4-(4-chlorophenoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617133

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[4-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168617461) is N-[[4-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[4-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[4-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NN=Cc2ccc(CN(CC(C)C)CC(C)C)cc2)n1.
What is the InChIKey of N-[[4-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is JOSPWYHBFLJLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4S/c1-15(2)11-24(12-16(3)4)13-19-8-6-18(7-9-19)10-21-23-20-22-17(5)14-25-20/h6-10,14-16H,11-13H2,1-5H3,(H,22,23).
What are the key properties of N-[[4-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[[4-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 358.56 g/mol, XLogP of 5.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168617461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).