4-(ethylideneamino)-N-(4-methoxy-3-pyridinyl)-5-methyl-1,3-benzothiazol-2-amine;pentane

C21H28N4OS — CID 144500129

IUPAC4-(ethylideneamino)-N-(4-methoxy-3-pyridinyl)-5-methyl-1,3-benzothiazol-2-amine;pentane
SMILESC/C=N/c1c(C)ccc2sc(Nc3cnccc3OC)nc12.CCCCC
InChIInChI=1S/C16H16N4OS.C5H12/c1-4-18-14-10(2)5-6-13-15(14)20-16(22-13)19-11-9-17-8-7-12(11)21-3;1-3-5-4-2/h4-9H,1-3H3,(H,19,20);3-5H2,1-2H3/b18-4+;
InChIKeyIURGMTUCZGYOLL-BLSWVXOOSA-N
MW384.55 g/mol
LogP6.67
Rot. Bonds6

About 4-(ethylideneamino)-N-(4-methoxy-3-pyridinyl)-5-methyl-1,3-benzothiazol-2-amine;pentane

4-(ethylideneamino)-N-(4-methoxy-3-pyridinyl)-5-methyl-1,3-benzothiazol-2-amine;pentane (PubChem CID 144500129) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is 4-(ethylideneamino)-N-(4-methoxy-3-pyridinyl)-5-methyl-1,3-benzothiazol-2-amine;pentane.

Molecular Properties

Compound Name4-(ethylideneamino)-N-(4-methoxy-3-pyridinyl)-5-methyl-1,3-benzothiazol-2-amine;pentane
PubChem CID144500129
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Name4-(ethylideneamino)-N-(4-methoxy-3-pyridinyl)-5-methyl-1,3-benzothiazol-2-amine;pentane
SMILESC/C=N/c1c(C)ccc2sc(Nc3cnccc3OC)nc12.CCCCC
InChIInChI=1S/C16H16N4OS.C5H12/c1-4-18-14-10(2)5-6-13-15(14)20-16(22-13)19-11-9-17-8-7-12(11)21-3;1-3-5-4-2/h4-9H,1-3H3,(H,19,20);3-5H2,1-2H3/b18-4+;
InChIKeyIURGMTUCZGYOLL-BLSWVXOOSA-N
XLogP6.67
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.55
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87944456
N-(4-methoxy-3-pyridinyl)pentanamide
CID 60608647
N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride
CID 87944343
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxypyridin-3-amine
CID 75386237
4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile
CID 87944232
4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 157119634
4-methoxy-3-[(6-methylpyrrolo[3,2-e][1,3]benzothiazol-2-yl)amino]benzonitrile;hydrochloride
CID 87944484
N-(2-methoxy-4-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87944407
N-(2-methoxyphenyl)isoquinolin-8-amine
CID 82582626
5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43307023
N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908750
N-(4-methyl-1,3-benzothiazol-2-yl)octanamide
CID 42733003

Frequently Asked Questions

What is the IUPAC name of 4-(ethylideneamino)-N-(4-methoxy-3-pyridinyl)-5-methyl-1,3-benzothiazol-2-amine;pentane?
The IUPAC name of 4-(ethylideneamino)-N-(4-methoxy-3-pyridinyl)-5-methyl-1,3-benzothiazol-2-amine;pentane (CID 144500129) is 4-(ethylideneamino)-N-(4-methoxy-3-pyridinyl)-5-methyl-1,3-benzothiazol-2-amine;pentane.
What is the SMILES notation for 4-(ethylideneamino)-N-(4-methoxy-3-pyridinyl)-5-methyl-1,3-benzothiazol-2-amine;pentane?
The canonical SMILES for 4-(ethylideneamino)-N-(4-methoxy-3-pyridinyl)-5-methyl-1,3-benzothiazol-2-amine;pentane is C/C=N/c1c(C)ccc2sc(Nc3cnccc3OC)nc12.CCCCC.
What is the InChIKey of 4-(ethylideneamino)-N-(4-methoxy-3-pyridinyl)-5-methyl-1,3-benzothiazol-2-amine;pentane?
The InChIKey is IURGMTUCZGYOLL-BLSWVXOOSA-N. The full InChI is InChI=1S/C16H16N4OS.C5H12/c1-4-18-14-10(2)5-6-13-15(14)20-16(22-13)19-11-9-17-8-7-12(11)21-3;1-3-5-4-2/h4-9H,1-3H3,(H,19,20);3-5H2,1-2H3/b18-4+;.
What are the key properties of 4-(ethylideneamino)-N-(4-methoxy-3-pyridinyl)-5-methyl-1,3-benzothiazol-2-amine;pentane?
4-(ethylideneamino)-N-(4-methoxy-3-pyridinyl)-5-methyl-1,3-benzothiazol-2-amine;pentane has a molecular weight of 384.55 g/mol, XLogP of 6.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylideneamino)-N-(4-methoxy-3-pyridinyl)-5-methyl-1,3-benzothiazol-2-amine;pentane is sourced from PubChem (CID 144500129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).